Safety Data Sheet

SECTION 1: Identification of the substance/mixture and of the company/undertaking

1.1 Product Identifiers

Product name: Acrylonitrile (stabilized with Hydroquinone Monomethyl Ether) for Synthesis

Product number: 8.00834

Article number: 800834

Brand: Millipore

INDEX No.: 608-003-00-4

REACH No.: 01-2119474195-34-XXXX

CAS-No.: 107-13-1

1.2 Relevant identified uses of the substance or mixture and uses advised against

Identified uses: Synthesis chemical

1.3 Details of the supplier of the safety data sheet

Company: Merck KGaA

Frankfurter Str. 250

D-64271 DARMSTADT

Telephone: +49 (0)6151 72-0

Fax: +49 6151 727780

Email address: TechnischerService@merckgroup.com

1.4 Emergency telephone number

Emergency Tel. No.:

• Fire Department: +49 (0)6151/722440 *
• Telefax: +49 (0)6151/727780 *
• Poison Information Center Freiburg: 49(0)76119240 *
• CHEMTREC Germany: 0800 181 7059

SECTION 2: Hazards identification

2.1 Classification of the substance or mixture

Classification (REGULATION (EC) No 1272/2008):

• Flammable liquids, Category 2: H225: Liquid and vapor highly flammable.
• Acute Toxicity, Category 3: H301: Toxic if swallowed.
• Acute Toxicity, Category 3: H331: Toxic if inhaled.
• Acute Toxicity, Category 3: H311: Toxic in contact with skin.
• Skin irritation, Category 2: H315: Causes skin irritation.
• Serious eye damage, Category 1: H318: Causes serious eye damage.
• Skin sensitization, Category 1B: H317: May cause an allergic skin reaction.
• Carcinogenicity, Category 1B: H350: May cause cancer.
• Specific target organ toxicity - Single exposure, Category 3, Respiratory system: H335: May cause respiratory irritation.
• Hazardous to the aquatic environment - Chronic Hazard, Category 2: H411: Toxic to aquatic life with long lasting effects.

2.2 Label elements

Labeling (REGULATION (EC) No 1272/2008):

Hazard pictograms: ☠️?⚠️

Signal word: Danger

Hazard statements:

• H225: Liquid and vapor highly flammable.
• H301 + H311 + H331: Toxic if swallowed, in contact with skin or if inhaled.
• H315: Causes skin irritation.
• H317: May cause an allergic skin reaction.
• H318: Causes serious eye damage.
• H335: May cause respiratory irritation.
• H350: May cause cancer.
• H411: Toxic to aquatic life with long lasting effects.

Precautionary statements:

• P210: Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.
• P273: Avoid release to the environment.
• P280: Wear protective gloves/ protective clothing/ eye protection/ face protection.
• P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER/doctor.
• P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

2.3 Other hazards

This substance/mixture contains no components considered persistent, bioaccumulative and toxic (PBT) or very persistent and very bioaccumulative (vPvB) at concentrations of 0.1% or higher.

Environmental information: The substance/mixture does not contain any components with endocrine-disrupting properties according to REACH Article 57(f) or Commission Delegated Regulation (EU) 2017/2100 or Commission Delegated Regulation (EU) 2018/605 in quantities of 0.1% or more.

Toxicological information: The substance/mixture does not contain any components with endocrine-disrupting properties according to REACH Article 57(f) or Commission Delegated Regulation (EU) 2017/2100 or Commission Delegated Regulation (EU) 2018/605 in quantities of 0.1% or more.

SECTION 3: Composition/information on ingredients

3.1 Substances

Chemical Name: Acrylonitrile

CAS-No.: 107-13-1

EC-No.: 203-466-5

Concentration (% w/w): >= 90 - <= 100

M-Factor, SCL, ATE:

• Acute Oral Toxicity: 95.1 mg/kg
• Acute Inhalation Toxicity (Vapor): 2.05 mg/l
• Acute Dermal Toxicity: 250 mg/kg

SECTION 4: First aid measures

4.1 Description of first aid measures

General advice: First aider needs to protect himself. Show this safety data sheet to the doctor.

After inhalation: Fresh air. Call in immediately a physician. In case of breathing arrest: call for immediate artificial respiration, if necessary oxygen supply.

After contact with skin: Take off all contaminated clothing immediately. Wash off with water/ shower. Call in immediately a physician.

After contact with eyes: Rinse with plenty of water. Call in immediately an ophthalmologist. Remove contact lenses.

After ingestion: Rinse mouth. Do NOT induce vomiting. Call in immediately a physician. Only in case of conscious patients: administer activated charcoal (20 - 40 g in 10% suspension) and call in physician as quickly as possible.

4.2 Most important symptoms and effects, both acute and delayed

The most important known symptoms and effects are described in the labeling (see section 2.2) and/or in chapter 11.

4.3 Indication of any immediate medical attention and special treatment needed

No data available

SECTION 5: Firefighting measures

5.1 Extinguishing media

Suitable extinguishing media: Carbon dioxide (CO2), Foam, Dry powder

Unsuitable extinguishing media: No restrictions on extinguishing media for this substance/mixture exist.

5.2 Special hazards arising from the substance or mixture

Special hazards: Flammable. In case of fire, the following can be released: Nitrogen oxides, Hydrogen cyanide (hydrocyanic acid). Watch for reignition. Vapors are heavier than air and spread along the ground. Explosive mixtures with air are possible even at normal temperatures.

Hazardous combustion products: Carbon oxides, Nitrogen oxides (NOx)

5.3 Advice for firefighters

Protective equipment: Stay in the danger area only with self-contained breathing apparatus. Avoid skin contact by maintaining a safe distance or wearing suitable protective clothing.

Further information: Bring container from danger zone, cool with water. Suppress gases/vapors/mists with water spray. Do not let extinguishing water enter surface water or groundwater systems.

SECTION 6: Accidental release measures

6.1 Personal precautions, protective equipment and emergency procedures

Personal precautions: For non-emergency personnel: Do not inhale vapor/aerosol. Avoid contact with substance. Ensure adequate ventilation. Keep away from heat and ignition sources. Evacuate danger zone, follow emergency plan, call in qualified personnel.

Personal protective equipment see section 8.

6.2 Environmental precautions

Environmental precautions: Do not allow to enter into sewer. Explosion risk.

6.3 Methods and material for containment and cleaning up

Cleaning up: Seal off drains. Collect, dike and pump off. Observe possible material restrictions! (Information in Section 7 or Section 10). Absorb with liquid-binding material, e.g. Chemizorb®, for disposal. Clean up residue.

6.4 Reference to other sections

For disposal information see section 13.

SECTION 7: Handling and storage

7.1 Precautions for safe handling

Advice on safe handling: Work under a fume hood. Do not inhale substance/mixture. Avoid development of vapors/aerosols.

Precautions for fire and explosion protection: Keep away from open flames, hot surfaces and ignition sources. Take measures against electrostatic discharge.

Hygiene measures: Change contaminated clothing immediately. Preventive skin protection. Wash hands and face after work.

Information on protective measures is in Section 2.2.

7.2 Conditions for safe storage, including any incompatibilities

Further information: Protect from light.

Storage conditions: Keep container tightly closed in a dry, well-ventilated place. Keep away from heat and ignition sources. Store under lock and key or only accessible to authorized personnel or their representatives.

Storage class (TRGS 510): 3, Flammable liquids

Further information on storage stability: Recommended storage temperature see product label.

7.3 Specific end use(s)

Apart from the uses mentioned in Section 1.2, no other specific uses are intended.

SECTION 8: Exposure controls/personal protection

8.1 Control parameters

Workplace Exposure Limits

Further Information: Skin sensitization, Skin, Carcinogens or Mutagens

Acceptance concentration: 0.12 ppm

Tolerance concentration: 0.26 mg/m3

Further Information: Skin-resorptive

Peak limitation: Exceedance factor (Category): 8 - Exceedance factor according to number 3.2.6

Further Information: Skin-resorptive

Biological Workplace Exposure Limits

8.2 Exposure controls and personal protection

Personal protective equipment

Eye/face protection: Use only equipment that has been tested and approved according to official standards, such as NIOSH (US) or EN 166 (EU), for eye protection. Tightly fitting safety goggles.

Hand protection:

• Material: Butyl rubber
• Breakthrough time: 480 min
• Glove thickness: 0.7 mm
• Protection index: Full contact
• Manufacturer: Butoject® (KCL 898)

• Material: Chloroprene
• Breakthrough time: 30 min
• Glove thickness: 0.65 mm
• Protection index: Splash contact
• Manufacturer: KCL 720 Camapren®

Remarks: This recommendation applies only to the product named in the safety data sheet supplied by us and for the intended use specified by us. If dissolving or mixing with other substances, or under conditions deviating from EN 16523-1, contact the supplier of CE-approved gloves (e.g., KCL GmbH, D-36124 Eichenzell, Internet: www.kcl.de).

Skin and body protection: Flame-retardant antistatic protective clothing.

Respiratory protection: Required if vapors/aerosols occur. Our recommendations for respiratory protection filters are based on the following standards: DIN EN 143, DIN 14387 and associated standards for respiratory protection systems.

Recommended filter type: Filter A-(P3)

The employer must ensure that maintenance, cleaning and testing of respiratory protective equipment are carried out according to the manufacturer's user information and are documented accordingly.

Control of environmental exposure

Note: Do not allow to enter into sewer. Explosion risk.

SECTION 9: Physical and chemical properties

9.1 Information on basic physical and chemical properties

Physical state: liquid

Color: colorless

Odor: pungent

Odor threshold: 21.4 ppm

Melting point: -83.5 °C (ca. 1.013 hPa)

Boiling point: 77.3 °C (ca. 1.013 hPa)

Flammability: No data available

Upper/lower explosion or flammability limits: Upper: 28%(V)

Lower explosion or flammability limits: Lower: 2%(V)

Flash point: -5 °C Method: closed cup

Auto-ignition temperature: 481 °C

Decomposition temperature: No data available

pH value: No data available

Viscosity:

• Dynamic viscosity: 0.34 mPa.s (25 °C)
• Kinematic viscosity: No data available

Solubility(ies): soluble

Water solubility: soluble

Partition coefficient: n-octanol/water: log Pow: 0.016 (21 °C) Method: Regulation (EC) No. 440/2008, Annex, A.8 GLP: yes

Bioaccumulation is not expected.

Vapor pressure: 133.3 hPa (23.6 °C)

Relative density: No data available

Density: 0.806 g/cm3

Relative vapor density: 1.83 (Air = 1.0)

Particle characteristics: No data available

9.2 Other information

Explosive properties/mixtures: No data available

Oxidizing properties: none

Burning rate: No data available

Self-ignition: 481 °C 1.013 hPa

Evaporation speed: No data available

Surface tension: 27.3 mN/m, 24 °C

Molecular weight: 53.06 g/mol

SECTION 10: Stability and reactivity

10.1 Reactivity

Vapors can form an explosive mixture with air.

10.2 Chemical stability

The product is chemically stable under normal ambient conditions (room temperature). Contains as stabilizer(s): Hydroquinone monomethyl ether (0.004 %)

10.3 Possibility of hazardous reactions

Hazardous reactions: Explosion hazard with: Bromine, Sodium hydroxide, Esters, Chlorine, Nitric acid. Violent polymerization can be triggered by: Alkali hydroxides, Strong bases, Oxidizing agents, Copper, Copper alloys, Sulfuric acid, Silver salt, Polymerization initiators, Peroxides, Sodium amide. Exothermic reaction with: Sodium hydroxide. Exothermic reaction with: Chlorosulfonic acid, Strong acids.

10.4 Conditions to avoid

Conditions to avoid: Heat. Can polymerize under the influence of light. Warming.

10.5 Incompatible materials

No data available

10.6 Hazardous decomposition products

In case of fire: see Chapter 5

SECTION 11: Toxicological information

11.1 Information on toxicological effects

Acute toxicity

• Estimated Acute Oral Toxicity - 96.06 mg/kg (Calculation method)
• LD50 Oral - Rat - female - 95.1 mg/kg (Acrylonitrile) Remarks: (ECHA)
• Estimated Acute Oral Toxicity - 95.1 mg/kg (Acrylonitrile) (ATE value derived from LD50/LC50 value)
• Estimated Acute Toxicity Inhalation - 4 h - 2.07 mg/l - Vapor (Calculation method)
• LC50 Inhalation - Rat - female - 4 h - 2.05 mg/l - Vapor (Acrylonitrile) (OECD Guideline 403)

Symptoms: Mucous membrane irritation, cough, shortness of breath, Possible consequences:, Damage to the respiratory tract

• Estimated Acute Toxicity Inhalation - 2.05 mg/l - Vapor (Acrylonitrile) (ATE value derived from LD50/LC50 value)
• Estimated Acute Toxicity Dermal - 252.53 mg/kg (Calculation method)
• LD50 Dermal - Rabbit - 250 mg/kg (Acrylonitrile) Remarks: (IUCLID)
• Estimated Acute Toxicity Dermal - 250 mg/kg (Acrylonitrile) (ATE value derived from LD50/LC50 value)

Skin corrosion/irritation

• Skin - Rabbit (Acrylonitrile) Result: Skin irritation - 24 h (OECD Guideline 404) Remarks: Classified according to Regulation (EU) 1272/2008, Annex VI (Table 3.1/3.2)

Serious eye damage/eye irritation

• Eyes - Rabbit (Acrylonitrile) Result: Danger of serious eye damage. (OECD Guideline 405) Remarks: Classified according to Regulation (EU) 1272/2008, Annex VI (Table 3.1/3.2)

Respiratory or skin sensitization

• Maximisation test - Guinea pig (Acrylonitrile) Result: positive (OECD Guideline 406)

Germ cell mutagenicity

• Test type: Ames test (Acrylonitrile) Test system: S. typhimurium Metabolic activation: Metabolic activation Method: OECD Guideline 471 Result: positive
• Test type: Mutagenicity (mammalian cell test): Chromosomal aberration. (Acrylonitrile) Test system: Chinese Hamster Lung Cells Metabolic activation: with and without metabolic activation Result: positive Remarks: (ECHA)
• Test type: In vitro gene mutation test in mammalian cells (Acrylonitrile) Test system: Mouse Lymphoma Cells Metabolic activation: without metabolic activation Method: OECD Guideline 476 Result: positive

Carcinogenicity

Has potential to cause cancer in humans (Acrylonitrile)

Reproductive toxicity

No data available

Specific target organ toxicity - single exposure

May cause respiratory irritation. (Acrylonitrile) Remarks: Classified according to Regulation (EU) 1272/2008, Annex VI (Table 3.1/3.2)

Aspiration hazard

No data available

11.2 Other information

Endocrine-disrupting properties

Product:

Assessment: The substance/mixture does not contain any components with endocrine-disrupting properties according to REACH Article 57(f) or Commission Delegated Regulation (EU) 2017/2100 or Commission Delegated Regulation (EU) 2018/605 in quantities of 0.1% or more.

Extremely damaging effect on mucous membrane tissue and upper respiratory tract, as well as on eyes and skin., Cough, shortness of breath, headache, nausea (Acrylonitrile)

To the best of our knowledge, the chemical, physical and toxicological properties have not been thoroughly investigated. (Acrylonitrile)

After Resorption:

• (Acrylonitrile)
• Headache
• Nausea
• Vomiting
• Dizziness
• Excitation
• Cramps
• Respiratory arrest
• Unconsciousness
• (Acrylonitrile)

For cyanide compounds/nitriles in general: Extreme caution! Release of hydrocyanic acid possible - blockade of cellular respiration. Cardiovascular disorders, shortness of breath, unconsciousness. (Acrylonitrile)

Further hazardous properties cannot be excluded. (Acrylonitrile)

The substance must be handled with particular caution. (Acrylonitrile)

SECTION 12: Ecological information

12.1 Toxicity

Substances:

Acrylonitrile:

• Toxicity to fish: LC50 (Oryzias latipes): 5.1 mg/l Endpoint: Mortality Exposure time: 96 h Test type: semi-static test Analytical control: yes Method: OECD Guideline 203 GLP: yes
• Toxicity to daphnia and other aquatic invertebrates: EC50 (Daphnia magna): 2.5 mg/l Endpoint: Immobilization Exposure time: 48 h Test type: static test Analytical control: yes Method: OECD Guideline 202 GLP: yes
• Toxicity to algae/aquatic plants: ErC50 (Pseudokirchneriella subcapitata): 10 mg/l Exposure time: 72 h Test type: static test Analytical control: yes Method: OECD Guideline 201 GLP: yes
• Toxicity to microorganisms: EC5 (Pseudomonas putida): 53 mg/l Exposure time: 16 h Remarks: (Lit.) (Toxic concentration limit)
• Toxicity to fish (Chronic Toxicity): NOEC: 0.17 mg/l Endpoint: Growth inhibition Exposure time: 30 d Species: Pimephales promelas (fathead minnow) Test type: flow-through test Analytical control: yes Remarks: (ECHA)
• Toxicity to daphnia and other aquatic invertebrates (Chronic Toxicity): NOEC: 2 mg/l Endpoint: Mortality Exposure time: 21 d Species: Daphnia magna (water flea) Remarks: (ECOTOX Database)

12.2 Persistence and degradability

Substances:

Acrylonitrile:

• Biodegradability: Test type: aerobic Inoculum: Activated sludge Concentration: 30 mg/l Result: Potentially biodegradable. Biological degradation: 100 % Exposure time: 14 d Method: OECD Guideline 302C GLP: yes
• BOD/COD: 0.52 %
• BOD/THOD: 70 % Remarks: (Lit.)

12.3 Bioaccumulation potential

Acrylonitrile:

• Bioaccumulation: Species: Lepomis macrochirus Exposure time: 14 d Concentration: 9.94 µg/l Bioaccumulation factor (BCF): 48
• Partition coefficient: n-octanol/water: log Pow: 0.016 (21 °C) pH value: 7.6 - 8.5 Method: Regulation (EC) No. 440/2008, Annex, A.8 GLP: yes Remarks: Bioaccumulation is not expected.

12.4 Mobility in soil

No data available

12.5 Results of PBT and vPvB assessment

Product:

Assessment: This substance/mixture contains no components of concern that are identified as persistent, bioaccumulative and toxic (PBT) or very persistent and very bioaccumulative (vPvB) at concentrations of 0.1% or higher.

12.6 Endocrine-disrupting properties

Product:

Assessment: The substance/mixture does not contain any components with endocrine-disrupting properties according to REACH Article 57(f) or Commission Delegated Regulation (EU) 2017/2100 or Commission Delegated Regulation (EU) 2018/605 in quantities of 0.1% or more.

12.7 Other adverse effects

Product:

General ecological advice: Forms toxic mixtures with water even when diluted. Avoid release to the environment.

SECTION 13: Disposal considerations

13.1 Waste treatment methods

Product: Product residues must be disposed of in accordance with national and regional regulations. Keep chemicals in original containers. Do not mix with other waste. Uncleaned containers must be treated as the product itself.

SECTION 14: Transport information

14.1 UN number or ID number

• ADR: UN 1093
• IMDG: UN 1093
• IATA (Cargo): UN 1093
• IATA (Passenger): UN 1093

14.2 UN proper shipping name

• ADR: ACRYLONITRILE, STABILIZED
• IMDG: ACRYLONITRILE, STABILIZED
• IATA (Cargo): Acrylonitrile, stabilized
• IATA (Passenger): Acrylonitrile, stabilized

14.3 Transport hazard class(es)

• ADR: Class 3, Subsidiary risk 6.1
• IMDG: Class 3, Subsidiary risk 6.1
• IATA (Cargo): Class 3, Subsidiary risk 6.1
• IATA (Passenger): Transport not permitted

14.4 Packing group

• ADR: Packing group I, Classification code FT1, Hazard identification number 336, Hazard label 3 (6.1), Tunnel restriction code (C/E)
• IMDG: Packing group I, Hazard label 3 (6.1), EmS Code F-E, S-D
• IATA (Cargo): Packing instruction 361 (Cargo aircraft only), Packing group I
• IATA (Passenger): Class 3 - Flammable liquids, Division 6.1 - Toxic substances, Transport not permitted

14.5 Environmental hazards

• ADR: Yes
• IMDG: Yes

14.6 Special precautions for user

The transport classification(s) provided herein are for informational purposes only and are based solely on the properties of the unpacked material as described in this safety data sheet. Transport classifications may vary with transport method, packaging size, and deviations in regional or country-specific regulations.

14.7 Mass carrying of bulk on sea according to IMO instruments

Not applicable to the product in delivered state.

SECTION 15: Regulatory information

15.1 Safety, health and environmental regulations/legislation specific for the substance or mixture

REACH - Restrictions on the manufacture, placing on the market and use of certain dangerous substances, mixtures and articles (Annex XVII):

• The conditions of restriction for the following entries should be considered: Entry number 3, Entry number 40, Entry number 75: If you intend to use this product as tattoo ink, please contact your supplier.
• Prohibited and/or restricted

REACH - Candidate List of Substances of Very High Concern (Article 59): Not applicable

Regulation (EC) No. 2024/590 on substances that deplete the ozone layer: Not applicable

Regulation (EU) 2019/1021 on persistent organic pollutants (recast): Not applicable

REACH - List of substances subject to authorisation (Annex XIV): Not applicable

Water hazard class: WGK 3 strongly water-hazardous Kenn-Number: 10 Classification according to AwSV, Annex 1 (4)

Other regulations: The product is subject to the delivery restrictions of the Chemicals Prohibition Ordinance. Observe employment restrictions according to the Maternity Protection Act - MuSchG for work, training and study. Observe employment restrictions according to Directive 94/33/EC on the protection of young people at work or stricter national provisions, as applicable.

15.2 Chemical safety assessment

No chemical safety assessment has been carried out for this product.

SECTION 16: Other information

Full text of other abbreviations and acronyms

• 2004/37/EC: European Parliament and Council Directive 2004/37/EC on the protection of workers from the risks related to exposure to carcinogens, mutagens or reprotoxic substances at work - Annex III
• DE TRGS 910: TRGS 910 - Substance-specific acceptance and tolerance concentrations and equivalence values for carcinogenic hazardous substances.
• TRGS 910: Germany. TRGS 910 - Substance-specific equivalence values for acceptance and tolerance concentrations for carcinogenic hazardous substances
• 2004/37/EC / STEL: Short-term exposure limit
• 2004/37/EC / TWA: weighted average
• DE TRGS 910 /: Acceptance concentration
• DE TRGS 910 /: Tolerance concentration

Further information: The information provided is compiled to the best of our knowledge and does not claim to be complete and should only be used as a guide by the user. Sigma-Aldrich and its subsidiaries disclaim any liability for damages that may occur from handling or contact with these chemicals. For general terms and conditions and additional information, see www.sigmaaldrich.com and/or the back of our invoices or delivery notes.

Copyright (2020): Sigma-Aldrich Co. LLC. Paper copies may only be made for internal use.

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