3-methylhexanoic acid
Suppliers
Names
[ CAS No. ]:
3780-58-3
[ Name ]:
3-methylhexanoic acid
[Synonym ]:
(+-)-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
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
Precursor & DownStream
Precursor
DownStream
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%