75-86-5 structure, C4H7NO
2-hydroxy-2-methylpropanenitrile
CAS No.: 75-86-5 Formula: C4H7NO Molecular Weight: 85.10450

2-hydroxy-2-methylpropanenitrile

CAS No.:

75-86-5

Formula:

C4H7NO

Molecular Weight: 85.10450
Suppliers: All(0) China Suppliers(0) Price Available(0) Contractor(0)

Description

Acetone cyanohydrin (ACH) is an organic compound used in the production of methyl methacrylate, the monomer of the transparent plastic polymethyl methacrylate (PMMA), also known as acrylic. It is extremely toxic.

Numbering system

MDL number MFCD00004455
EINECS number 200-909-4

Properties

Appearance & Physical State

yellowish liquid

Density

0.932

Boiling Point

82ºC (23 mmHg)

Melting Point

-19ºC

Flash Point

73ºC

Refractive Index

n20/D 1.399(lit.)

Water Solubility

miscible

Stability

Stable under normal temperatures and pressures.

Storage Condition

Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a cool, dry place. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Vapor Pressure

0.3 psi ( 20 °C)

Safety Info

RTECS

OD9275000

Hazard Class

6.1(a)

Safety Statements

S27-S45-S60-S61-S7/9

HS Code

2926909090

WGK Germany

3

Packing Group

I

RIDADR

UN 1541

Risk Statements

R26/27/28; R50

Hazard Codes

T+; N

SDS 1.0

Expand

SDS 1.0

Collapse
Download/Modify | Technical supported by XiXisys.com. For US version, EU version (23 languages) and more, please refer to xixisys.com/en/sds/search

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-hydroxy-2-methylpropanenitrile

1.2 Other means of identification

Product number -
Other names Acetoncianidrina

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Intermediates
Uses advised against no data available

1.4 Supplier's details

Company MOLBASE (Shanghai) Biotechnology Co., Ltd.
Address Floor 4 & 5, Building 12, No. 1001 North Qinzhou Road,
Xuhui District, Shanghai, China
Telephone +86(21)64956998
Fax +86(21)54365166

1.5 Emergency phone number

Emergency phone number +86-400-6021-666
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 2

Acute toxicity - Dermal, Category 1

Acute toxicity - Inhalation, Category 2

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H300 Fatal if swallowed

H310 Fatal in contact with skin

H330 Fatal if inhaled

H410 Very toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P262 Do not get in eyes, on skin, or on clothing.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

P284 [In case of inadequate ventilation] wear respiratory protection.

P273 Avoid release to the environment.

Response

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/…

P321 Specific treatment (see ... on this label).

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P310 Immediately call a POISON CENTER/doctor/…

P361+P364 Take off immediately all contaminated clothing and wash it before reuse.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P320 Specific treatment is urgent (see ... on this label).

P391 Collect spillage.

Storage

P405 Store locked up.

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

3.Composition/information on ingredients

3.1 Substances

Chemical name Common names and synonyms CAS number EC number Concentration
2-hydroxy-2-methylpropanenitrile 2-hydroxy-2-methylpropanenitrile 75-86-5 none 100%

4.First-aid measures

4.1 Description of necessary first-aid measures

General advice

Consult a physician. Show this safety data sheet to the doctor in attendance.

If inhaled

Fresh air, rest. Half-upright position. Artificial respiration may be needed. Refer for medical attention.

In case of skin contact

Rinse and then wash skin with water and soap. Refer for medical attention .

In case of eye contact

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

If swallowed

Rinse mouth. Refer for medical attention .

4.2 Most important symptoms/effects, acute and delayed

This material is considered very hazardous and should only be handled under conditions that prevent any inhalation of vapor or skin contact. May be slightly irritating to skin and mucous membranes. (EPA, 1998)

4.3 Indication of immediate medical attention and special treatment needed, if necessary

Immediate first aid: Remove patient from contact with the material. Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand-valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR as necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Cyanide and related compounds/

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped. Use water in flooding quantities as fog. Solid streams of water may be ineffective. Cool all affected containers with flooding quantities of water. Use "alcohol" foam, dry chemical or carbon dioxide. Keep run-off water out of sewers and water sources.

5.2 Specific hazards arising from the chemical

Too dangerous to health to expose fire fighters; a few whiffs of vapor could cause death; vapor or liquid could be fatal on penetrating normal protective clothing. Vapor forms explosive mixture with air. Decomposes when heated to 248F or at lower temperature under alkaline conditions, emitting highly toxic hydrogen cyanide. May react violently with water. Contact with sulfuric acid may cause it to explode. (EPA, 1998)

5.3 Special protective actions for fire-fighters

Wear self-contained breathing apparatus for firefighting if necessary.

6.Accidental release measures

6.1 Personal precautions, protective equipment and emergency procedures

Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8.

6.2 Environmental precautions

Personal protection: complete protective clothing including self-contained breathing apparatus. Do NOT let this chemical enter the environment. Sweep spilled substance into covered containers. Carefully collect remainder. Then store and dispose of according to local regulations.

6.3 Methods and materials for containment and cleaning up

Releases may require isolation or evacuation. Use water spray to cool and disperse vapors, protect personnel, and dilute spills to form nonflammable mixtures. Control runoff and isolate discharged material for proper disposal.

7.Handling and storage

7.1 Precautions for safe handling

Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2.

7.2 Conditions for safe storage, including any incompatibilities

Provision to contain effluent from fire extinguishing. Separated from strong bases, acids, water and food and feedstuffs. Well closed. Keep in a well-ventilated room.Separate from acids, alkalies, oxidizing materials, and reducing agents. Store in a cool, dry, well-ventilated location.

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

Recommended Exposure Limit: (15-minute) Ceiling value: 1 ppm (4 mg/cu m).

Biological limit values

no data available

8.2 Appropriate engineering controls

Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.

8.3 Individual protection measures, such as personal protective equipment (PPE)

Eye/face protection

Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).

Skin protection

Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique(without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it.

Respiratory protection

Wear dust mask when handling large quantities.

Thermal hazards

no data available

9.Physical and chemical properties

Physical state yellowish liquid
Colour Colorless liquid
Odour Distinct strong cyanide odor
Melting point/ freezing point -19ºC
Boiling point or initial boiling point and boiling range 82ºC (23 mmHg)
Flammability Class IIIA Combustible Liquid: Fl.P. at or above 60°C and below 93.33°C.Combustible. Gives off irritating or toxic fumes (or gases) in a fire.
Lower and upper explosion limit / flammability limit Lower flammable limit: 2.2% by volume; Upper flammable limit:12.0% by volume
Flash point 73ºC
Auto-ignition temperature 687.78°C (USCG, 1999)
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility In water:miscible
Partition coefficient n-octanol/water (log value) log Kow = -0.03 (est)
Vapour pressure 0.3 psi ( 20 °C)
Density and/or relative density 0.932
Relative vapour density 2.93 (EPA, 1998) (Relative to Air)
Particle characteristics no data available

10.Stability and reactivity

10.1 Reactivity

no data available

10.2 Chemical stability

Stable under recommended storage conditions.

10.3 Possibility of hazardous reactions

Combustible liquidThe vapour is heavier than air.ACETONE CYANOHYDRIN readily decomposes to acetone and poisonous hydrogen cyanide gas on contact with water, acids (sulfuric acid) or when exposed to heat. Should be kept cool and slightly acidic (pH 4-5) [Sax, 2nd ed., 1965, p. 388]. Slowly dissociates to acetone, a flammable liquid, and hydrogen cyanide, a flammable poisonous gas, under normal storage and transportation conditions. Rate of dissociation increased by contact with alkalis and/or heat.

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

Sulfuric acid, caustics [Note: Slowly decomposes to acetone & HCN at room temperatures; rate is accelerated by an increase in pH, water content, or temperature].

10.6 Hazardous decomposition products

When heated to decomposition it emits toxic fumes of /hydrogen cyanide/.

11.Toxicological information

Acute toxicity

  • Oral: LD50 Rat oral 0.17 g/kg
  • Inhalation: no data available
  • Dermal: no data available

Skin corrosion/irritation

no data available

Serious eye damage/irritation

no data available

Respiratory or skin sensitization

no data available

Germ cell mutagenicity

no data available

Carcinogenicity

no data available

Reproductive toxicity

no data available

STOT-single exposure

no data available

STOT-repeated exposure

no data available

Aspiration hazard

no data available

12.Ecological information

12.1 Toxicity

  • Toxicity to fish: LC50; Species: Lepomis macrochirus (Bluegill) length 33-75 mm; Conditions: freshwater, static, 23°C, pH 7.6-7.9, hardness 55 mg/L CaCO3; Concentration: 570 ug/L for 96 hr /formulation
  • Toxicity to daphnia and other aquatic invertebrates: no data available
  • Toxicity to algae: no data available
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

AEROBIC: Acetone cyanohydrin was only partially biodegradable in aqueous activated sludge screening tests by the standard bottle dilution method(1). Acetone cyanohydrin, present at 100 mg/L, reached 53-64% of its theoretical BOD in 4 weeks using an activated sludge inoculum at 30 mg/L in the Japanese MITI test which classified the compound as readily biodegradable(2). Acetone cyanohydrin dissociates in water (an equilibrium reaction), with half-life of 9 minutes at neutral pH, to form acetone and hydrogen cyanide(3); using the same Japanese MITI test, acetone has theoretical BOD of 98%(2) which might suggest the presence of hydrogen cyanide decreases the biodegradation rate with respect to acetone cyanohydrin in this test(SRC).

12.3 Bioaccumulative potential

An estimated BCF of 3 was calculated in fish for acetone cyanohydrin(SRC), using an estimated log Kow of -0.03(1) and a regression-derived equation(1). According to a classification scheme(2), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC). In addition, acetone cyanohydrin dissociates in water, 4.47 1/hr (half-life 9 minutes)(3), so bioconcentration in aquatic organisms will not be an important process(SRC).

12.4 Mobility in soil

Using a structure estimation method based on molecular connectivity indices(1), the Koc of acetone cyanohydrin can be estimated to be 1(SRC). According to a classification scheme(2), this estimated Koc value suggests that acetone cyanohydrin is expected to have very high mobility in soil. However, if released to soil, based on a hydrolysis rate of 4.47 1/hr (half-life 9 minutes) at pH 7.02 at 26°C(3), acetone cyanohydrin will dissociate rapidly with water forming acetone and hydrogen cyanide(3) and make it unlikely that the parent acetone cyanohydrin will be the mobile compound(SRC).

12.5 Other adverse effects

no data available

13.Disposal considerations

13.1 Disposal methods

Product

The material can be disposed of by removal to a licensed chemical destruction plant or by controlled incineration with flue gas scrubbing. Do not contaminate water, foodstuffs, feed or seed by storage or disposal. Do not discharge to sewer systems.

Contaminated packaging

Containers can be triply rinsed (or equivalent) and offered for recycling or reconditioning. Alternatively, the packaging can be punctured to make it unusable for other purposes and then be disposed of in a sanitary landfill. Controlled incineration with flue gas scrubbing is possible for combustible packaging materials.

14.Transport information

14.1 UN Number

ADR/RID: UN1541 IMDG: UN1541 IATA: UN1541

14.2 UN Proper Shipping Name

ADR/RID: ACETONE CYANOHYDRIN, STABILIZED
IMDG: ACETONE CYANOHYDRIN, STABILIZED
IATA: ACETONE CYANOHYDRIN, STABILIZED

14.3 Transport hazard class(es)

ADR/RID: 6.1 IMDG: 6.1 IATA: 6.1

14.4 Packing group, if applicable

ADR/RID: I IMDG: I IATA: I

14.5 Environmental hazards

ADR/RID: yes IMDG: yes IATA: yes

14.6 Special precautions for user

no data available

14.7 Transport in bulk according to Annex II of MARPOL 73/78 and the IBC Code

no data available

15.Regulatory information

15.1 Safety, health and environmental regulations specific for the product in question

Chemical name Common names and synonyms CAS number EC number
2-hydroxy-2-methylpropanenitrile 2-hydroxy-2-methylpropanenitrile 75-86-5 none
European Inventory of Existing Commercial Chemical Substances (EINECS) Listed.
EC Inventory Listed.
United States Toxic Substances Control Act (TSCA) Inventory Listed.
China Catalog of Hazardous chemicals 2015 Listed.
New Zealand Inventory of Chemicals (NZIoC) Listed.
Philippines Inventory of Chemicals and Chemical Substances (PICCS) Listed.
Vietnam National Chemical Inventory Not Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Listed.

16.Other information

Information on revision

Creation Date Aug 17, 2017
Revision Date Aug 17, 2017

Abbreviations and acronyms

  • CAS: Chemical Abstracts Service
  • ADR: European Agreement concerning the International Carriage of Dangerous Goods by Road
  • RID: Regulation concerning the International Carriage of Dangerous Goods by Rail
  • IMDG: International Maritime Dangerous Goods
  • IATA: International Air Transportation Association
  • TWA: Time Weighted Average
  • STEL: Short term exposure limit
  • LC50: Lethal Concentration 50%
  • LD50: Lethal Dose 50%
  • EC50: Effective Concentration 50%

References

  • IPCS - The International Chemical Safety Cards (ICSC), website: http://www.ilo.org/dyn/icsc/showcard.home
  • HSDB - Hazardous Substances Data Bank, website: https://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm
  • IARC - International Agency for Research on Cancer, website: http://www.iarc.fr/
  • eChemPortal - The Global Portal to Information on Chemical Substances by OECD, website: http://www.echemportal.org/echemportal/index?pageID=0&request_locale=en
  • CAMEO Chemicals, website: http://cameochemicals.noaa.gov/search/simple
  • ChemIDplus, website: http://chem.sis.nlm.nih.gov/chemidplus/chemidlite.jsp
  • ERG - Emergency Response Guidebook by U.S. Department of Transportation, website: http://www.phmsa.dot.gov/hazmat/library/erg
  • Germany GESTIS-database on hazard substance, website: http://www.dguv.de/ifa/gestis/gestis-stoffdatenbank/index-2.jsp
  • ECHA - European Chemicals Agency, website: https://echa.europa.eu/

Disclaimer: The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. We as supplier shall not be held liable for any damage resulting from handling or from contact with the above product.

MSDS

Expand
1H NMR : PredictExpand

NMR Spectrum 1H NMR : Predict

Collapse
75-86-5 NMR spectrum
More
Other items you might be interested in
Category in MOLBASE