Shanghai Nianxing Industrial Co., Ltd
China
Product Name: 3-methylhexanoic acid
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Purity: 98.0%
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Dayang Chem (Hangzhou) Co., Ltd.
China
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3780-58-3

3780-58-3 structure

3780-58-3 structure

Name: 3-methylhexanoic acid
Chemical Name: 3-methylhexanoic acid
CAS Number: 3780-58-3
Molecular Formula: C₇H₁₄O₂
Molecular Weight: 130.18500
Create Date: 2018-04-06 08:00:00
Modify Date: 2024-01-05 18:27:44

Name	3-methylhexanoic acid
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

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

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

HS Code	2915900090

Precursor 0
DownStream 3
41693-47-4 2177-81-3 92195-86-3

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%