3-Methylbutanoic acid

Modify Date: 2024-01-02 16:46:06

3-Methylbutanoic acid Structure
3-Methylbutanoic acid structure
Common Name 3-Methylbutanoic acid
CAS Number 503-74-2 Molecular Weight 102.132
Density 1.0±0.1 g/cm3 Boiling Point 175.3±8.0 °C at 760 mmHg
Molecular Formula C5H10O2 Melting Point -35 °C
MSDS Chinese USA Flash Point 70.6±0.0 °C
Symbol GHS05
GHS05
Signal Word Danger

 Use of 3-Methylbutanoic acid


3-Methylbutanoic acid is a natural fatty acid and known to effect on neonatal death and possible Jamaican vomiting sickness in human.

 Names

Name isovaleric acid
Synonym More Synonyms

 3-Methylbutanoic acid Biological Activity

Description 3-Methylbutanoic acid is a natural fatty acid and known to effect on neonatal death and possible Jamaican vomiting sickness in human.
Related Catalog
Target

Human Endogenous Metabolite

References

[1]. Ackman RG, et al. Birthweights in the Faroe Islands: possible role of isovaleric acid. J Intern Med. 1989 Feb;225(2):73-5.

 Chemical & Physical Properties

Density 1.0±0.1 g/cm3
Boiling Point 175.3±8.0 °C at 760 mmHg
Melting Point -35 °C
Molecular Formula C5H10O2
Molecular Weight 102.132
Flash Point 70.6±0.0 °C
Exact Mass 102.068077
PSA 37.30000
LogP 1.13
Vapour Pressure 0.6±0.7 mmHg at 25°C
Index of Refraction 1.418
Water Solubility 25 g/L (20 ºC)

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NY1400000
CHEMICAL NAME :
Isovaleric acid
CAS REGISTRY NUMBER :
503-74-2
BEILSTEIN REFERENCE NO. :
1098522
LAST UPDATED :
199710
DATA ITEMS CITED :
12
MOLECULAR FORMULA :
C5-H10-O2
MOLECULAR WEIGHT :
102.15
WISWESSER LINE NOTATION :
QV1Y1&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 :
UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 1/31/1972
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,841,1979
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 1/31/1972 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2 mL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 1/31/1972
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1120 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
REFERENCE :
APTOA6 Acta Pharmacologica et Toxicologica. (Copenhagen, Denmark) V.1-59, 1945-86. For publisher information, see PHTOEH Volume(issue)/page/year: 18,141,1961
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
310 uL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 1/31/1972 *** 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 : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 84451 No. of Facilities: 35 (estimated) No. of Industries: 2 No. of Occupations: 2 No. of Employees: 69 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 84451 No. of Facilities: 148 (estimated) No. of Industries: 4 No. of Occupations: 16 No. of Employees: 6695 (estimated) No. of Female Employees: 1037 (estimated)

 Safety Information

Symbol GHS05
GHS05
Signal Word Danger
Hazard Statements H314
Precautionary Statements P280-P303 + P361 + P353-P304 + P340 + P310-P305 + P351 + P338
Personal Protective Equipment Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes C:Corrosive;T:Toxic;
Risk Phrases R22;R24;R34
Safety Phrases S26-S36/37/39-S45-S38-S28A
RIDADR UN 3265 8/PG 2
WGK Germany 1
RTECS NY1400000
Packaging Group III
Hazard Class 6.1
HS Code 2915600000

 Synthetic Route

 Customs

HS Code 2915900090
Summary 2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%

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 Synonyms

Butanoic acid, 3-methyl-
1,1-DIMETHYLPROPYL 3-METHYLBUTANOATE
Butanoic acid,3-methyl-,1,1-dimethylpropyl ester
Isovaleric acid
MFCD00002726
isobutanoic acid
3-Methylbutanoic acid
iso-valeric acid
3-Methyl-n-butyric acid
tert-Amyl isovalerate
β-methylbutyric acid
3-methyl butyric acid
2-Isovalerylamino-naphthalin
Isovaleriansaeure-tert-pentylester
3-Methylbutyric Acid
EINECS 207-975-3
QV1Y1&1
tert-Pentyl alcohol,isovalerate
3-Methylbutanoic acid,3-Methylbutyric acid
3-methyl-butanoic acid,1,1-dimethylpropyl ester
i-butanoic acid
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