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503-74-2

503-74-2 structure
503-74-2 structure
Name isovaleric acid
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
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.
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)

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)
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
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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