13635-04-6

13635-04-6 structure
13635-04-6 structure
  • Name: 3-Hydroxy-3-methylbutanenitrile
  • Chemical Name: 3-Hydroxy-3-methylbutanenitrile
  • CAS Number: 13635-04-6
  • Molecular Formula: C5H9NO
  • Molecular Weight: 99.131
  • Create Date: 2018-09-23 13:05:59
  • Modify Date: 2024-01-14 08:22:01

Name 3-Hydroxy-3-methylbutanenitrile
Synonyms 1,1-dimethyl-2-cyanoethanol
3,3-dimethyl-3-hydroxypropionitrile
Butanenitrile, 3-hydroxy-3-methyl-
3-hydroxy-3-methylbutyronitrile
3-Hydroxy-3-methylbutanenitrile
3-hydroxy-3-methylbutyronitril
2-cyano-1,1-dimethylethanol
Density 1.0±0.1 g/cm3
Boiling Point 217.2±13.0 °C at 760 mmHg
Molecular Formula C5H9NO
Molecular Weight 99.131
Flash Point 85.2±19.8 °C
Exact Mass 99.068413
PSA 44.02000
LogP -0.24
Vapour Pressure 0.0±0.9 mmHg at 25°C
Index of Refraction 1.435

SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name: 3-Hydroxy-3-methylbutyronitrile
REACH No.: A registration number is not available for this substance as the substance
or its uses are exempted from registration, the annual tonnage does not
require a registration or the registration is envisaged for a later
registration deadline.
CAS-No.: 13635-04-6


SECTION 2: Hazards identification
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008
Acute toxicity, Inhalation (Category 4), H332
Acute toxicity, Oral (Category 4), H302
For the full text of the H-Statements mentioned in this Section, see Section 16.
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Xn HarmfulR20/22
For the full text of the R-phrases mentioned in this Section, see Section 16.
Label elements
Labelling according Regulation (EC) No 1272/2008
Pictogram
Signal wordWarning
Hazard statement(s)
Harmful if swallowed.
Harmful if inhaled.
Precautionary statement(s)none
Supplemental Hazardnone
Statements
Other hazards - none

SECTION 3: Composition/information on ingredients
Substances
Formula: C5H9NO
Molecular Weight: 99,13 g/mol
CAS-No.: 13635-04-6
Hazardous ingredients according to Regulation (EC) No 1272/2008
ComponentClassificationConcentration
3-Hydroxy-3-methylbutyronitrile
Acute Tox. 4; H302, H332-
Hazardous ingredients according to Directive 1999/45/EC
ComponentClassificationConcentration
3-Hydroxy-3-methylbutyronitrile
Xn, R20/22-
For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

SECTION 4: First aid measures
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Wash off with soap and plenty of water. Consult a physician.
In case of eye contact
Flush eyes with water as a precaution.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.
Most important symptoms and effects, both acute and delayed
The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
section 11
Indication of any immediate medical attention and special treatment needed
no data available

SECTION 5: Firefighting measures
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides, nitrogen oxides (NOx)
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

SECTION 6: Accidental release measures
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid breathing vapours, mist or gas. Ensure adequate ventilation.
For personal protection see section 8.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
Soak up with inert absorbent material and dispose of as hazardous waste. Keep in suitable, closed
containers for disposal.
Reference to other sections
For disposal see section 13.

SECTION 7: Handling and storage
Precautions for safe handling
Avoid contact with skin and eyes. Avoid inhalation of vapour or mist.
For precautions see section 2.2.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Containers which are
opened must be carefully resealed and kept upright to prevent leakage.
Recommended storage temperature: 2 - 8 °C
Specific end use(s)
A part from the uses mentioned in section 1.2 no other specific uses are stipulated

SECTION 8: Exposure controls/personal protection
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
at the end of workday.
Personal protective equipment
Eye/face protection
Face shield and safety glasses Use equipment for eye protection tested and approved under
appropriate government standards such as NIOSH (US) or EN 166(EU).
Skin protection
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
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.
Body Protection
Complete suit protecting against chemicals, The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
Where risk assessment shows air-purifying respirators are appropriate use a full-face respirator
with multi-purpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup
to engineering controls. If the respirator is the sole means of protection, use a full-face supplied air
respirator. Use respirators and components tested and approved under appropriate government
standards such as NIOSH (US) or CEN (EU).
Control of environmental exposure
Do not let product enter drains.

SECTION 9: Physical and chemical properties
Information on basic physical and chemical properties
a) AppearanceForm: clear, liquid
Colour: light yellow
b) Odourno data available
c) Odour Thresholdno data available
d) pHno data available
e) Melting point/freezingno data available
point
f) Initial boiling point and 114 - 116 °C at 40 hPa
boiling range
g) Flash point97 °C - closed cup
h) Evapouration rateno data available
i) Flammability (solid, gas) no data available
j) Upper/lowerno data available
flammability or
explosive limits
k) Vapour pressureno data available
l) Vapour densityno data available
m) Relative density0,959 g/mL at 20 °C
n) Water solubilityno data available
o) Partition coefficient: n- no data available
octanol/water
p) Auto-ignitionno data available
temperature
q) Decompositionno data available
temperature
r) Viscosityno data available
s) Explosive propertiesno data available
t) Oxidizing propertiesno data available
Other safety information
no data available

SECTION 10: Stability and reactivity
Reactivity
no data available
Chemical stability
Stable under recommended storage conditions.
Possibility of hazardous reactions
no data available
Conditions to avoid
no data available
Incompatible materials
no data available
Hazardous decomposition products
Other decomposition products - no data available
In the event of fire: see section 5

SECTION 11: Toxicological information
Information on toxicological effects
Acute toxicity
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitisation
no data available
Germ cell mutagenicity
no data available
Carcinogenicity
IARC:No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
no data available
Specific target organ toxicity - single exposure
no data available
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Additional Information
RTECS: Not available

SECTION 12: Ecological information
Toxicity
no data available
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
PBT/vPvB assessment not available as chemical safety assessment not required/not conducted
Other adverse effects
no data available

SECTION 13: Disposal considerations
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company.
Contaminated packaging
Dispose of as unused product.

SECTION 14: Transport information
UN number
ADR/RID: 3276IMDG: 3276IATA: 3276
UN proper shipping name
ADR/RID: NITRILES, TOXIC, LIQUID, N.O.S. (3-Hydroxy-3-methylbutyronitrile)
IMDG: NITRILES, TOXIC, LIQUID, N.O.S. (3-Hydroxy-3-methylbutyronitrile)
IATA:Nitriles, liquid, toxic, n.o.s. (3-Hydroxy-3-methylbutyronitrile)
Transport hazard class(es)
ADR/RID: 6.1IMDG: 6.1IATA: 6.1
Packaging group
ADR/RID: IIIIMDG: IIIIATA: III
Environmental hazards
ADR/RID: noIMDG Marine pollutant: noIATA: no
Special precautions for user
no data available

SECTION 15: Regulatory information
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
Safety, health and environmental regulations/legislation specific for the substance or mixture
no data available
Chemical Safety Assessment


SECTION 16 - ADDITIONAL INFORMATION
N/A
Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H302-H332
Personal Protective Equipment Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes Xn: Harmful;
Risk Phrases 20/22
RIDADR UN 3276 6.1/PG 3
HS Code 2926909090

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Literature: PFIZER JAPAN INC.; PFIZER INC. Patent: WO2006/97808 A1, 2006 ; Location in patent: Page/Page column 71 ; WO 2006/097808 A1

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Literature: Pfizer Inc Patent: US2009/298811 A1, 2009 ; Location in patent: Page/Page column 58 ;

~65%

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Literature: Ohno, Hiroshi; Mori, Atsunori; Inoue, Shohei Chemistry Letters, 1993 , # 6 p. 975 - 978

~%

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Literature: Comptes Rendus des Seances de l'Academie des Sciences, Serie C: Sciences Chimiques, , vol. 277, p. 1045 - 1048

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Literature: Kisanga, Philip; McLeod, Dale; D'Sa, Bosco; Verkade, John Journal of Organic Chemistry, 1999 , vol. 64, # 9 p. 3090 - 3094

~%

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Literature: Journal of Physical Organic Chemistry, , vol. 12, # 1 p. 19 - 23

~%

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Literature: Recueil des Travaux Chimiques des Pays-Bas, , vol. 29, p. 59 Chem. Zentralbl., , vol. 80, # I p. 1982

~%

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Literature: Recueil des Travaux Chimiques des Pays-Bas, , vol. 29, p. 59 Chem. Zentralbl., , vol. 80, # I p. 1982
HS Code 2926909090
Summary HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%