Isobutyric acid

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Names

[ CAS No. ]:
79-31-2

[ Name ]:
Isobutyric acid

[Synonym ]:
2-Methylpropionic acid
α-methylpropionic acid
MFCD00002658
Methylpropanoic acid, 2-
Propanoic acid, 2-methyl-
isobutanoic acid
2-methyl-propionic acid
a-Methylpropionic acid
Isopropyl formic acid
4-02-00-00843 (Beilstein Handbook Reference)
Isobutyric acid
α-methylpropanoic acid
2-Methylpropanoic acid
isopropylformic acid
propane-2-carboxylic acid
a-Methylpropanoic acid
2-methyl-propanoic acid
Propionic acid, 2-methyl-
iso-Butyric Acid
EINECS 201-195-7

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
155.2±8.0 °C at 760 mmHg

[ Melting Point ]:
-47 °C

[ Molecular Formula ]:
C₄H₈O₂

[ Molecular Weight ]:
88.105

[ Flash Point ]:
55.6±0.0 °C

[ Exact Mass ]:
88.052429

[ PSA ]:
37.30000

[ LogP ]:
0.59

[ Vapour density ]:
3.04 (vs air)

[ Vapour Pressure ]:
1.6±0.6 mmHg at 25°C

[ Index of Refraction ]:
1.408

[ Water Solubility ]:
210 g/L (20 ºC)

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NQ4375000

CHEMICAL NAME :: Isobutyric acid

CAS REGISTRY NUMBER :: 79-31-2

BEILSTEIN REFERENCE NO. :: 0635770

LAST UPDATED :: 199710

DATA ITEMS CITED :: 7

MOLECULAR FORMULA :: C4-H8-O2

MOLECULAR WEIGHT :: 88.12

WISWESSER LINE NOTATION :: QVY1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Open irritation test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962 ** ACUTE TOXICITY DATA **

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 280 uL/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 500 uL/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962 *** REVIEWS *** TOXICOLOGY REVIEW AMIHAB AMA Archives of Industrial Health. (Chicago, IL) V.11-21, 1955-60. For publisher information, see AEHLAU. Volume(issue)/page/year: 21,100,1960 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X4110 No. of Facilities: 93 (estimated) No. of Industries: 4 No. of Occupations: 14 No. of Employees: 5052 (estimated) No. of Female Employees: 652 (estimated)

Safety Information

[ Symbol ]:

GHS02, GHS05, GHS06

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H226-H302-H311-H314

[ Precautionary Statements ]:
P210-P260-P280-P303 + P361 + P353-P305 + P351 + P338-P370 + P378

[ 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 ]:
R21/22

[ Safety Phrases ]:
S23-S36/37/39

[ RIDADR ]:
UN 2529 3/PG 3

[ WGK Germany ]:
1

[ RTECS ]:
NQ4375000

[ Packaging Group ]:
III

[ Hazard Class ]:
3

[ HS Code ]:
2915600000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

Propane Residual Solvent Standard
carbon monoxide
Isobutyraldehyde
Methacrylic acid
isobutanol
Cyclopropanecarboxylic acid
(4S)-4-benzyl-3-(2-methylpropionyl)-2-oxazolidinone
2-Chloropropane
Isobutane Residual Solvent Standard
Carbon dioxide

DownStream

14-Isopropyldibenz[a,j]acridine
2-isopropyl-1H-benzo[d]imidazole
3-Ethoxy-2,2-dimethyl-3-oxopropanoic acid
2,2-Dimethylmalonic acid
2,2-Dimethylbutanoic acid
Hexanoic acid,2,2-dimethyl-
PENTANAL, 2,2-DIMETHYL-
Gabapentin enacarbil
DL-2-Phenylpropionic acid
2-Methyl(2-2H)propanoic acid

Customs

[ HS Code ]: 2915600000

[ Summary ]:
2915600000 butanoic acids and pentanoic acids and their salts and esters VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

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