3-methylhexanoic acid

Modify Date: 2024-01-05 18:27:44

3-methylhexanoic acid Structure
3-methylhexanoic acid structure
Common Name 3-methylhexanoic acid
CAS Number 3780-58-3 Molecular Weight 130.18500
Density 0.935g/cm3 Boiling Point 215.3ºC at 760 mmHg
Molecular Formula C7H14O2 Melting Point N/A
MSDS N/A Flash Point 102.8ºC

 Names

Name 3-methylhexanoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.935g/cm3
Boiling Point 215.3ºC at 760 mmHg
Molecular Formula C7H14O2
Molecular Weight 130.18500
Flash Point 102.8ºC
Exact Mass 130.09900
PSA 37.30000
LogP 1.89730
Index of Refraction 1.431

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MO8400750
CHEMICAL NAME :
Hexanoic acid, 3-methyl-
CAS REGISTRY NUMBER :
3780-58-3
BEILSTEIN REFERENCE NO. :
1721252
LAST UPDATED :
199712
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C7-H14-O2
MOLECULAR WEIGHT :
130.21

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>400 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 10,453,1975

 Safety Information

HS Code 2915900090

 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%

 Synonyms

(+-)-3-methyl-hexanoic acid
1,2,4-trimethylbutane
(+-)-3-Methyl-hexan
Hexane,3-methyl
DSSTox_CID_8974
(+-)-3-Methyl-hexansaeure
3-Methyl-hexane
2-Ethylpentane
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