3-hexenoic acid

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Names

[ Name ]:
3-hexenoic acid

[Synonym ]:
Hex-3-en-carbonsaeure
hex-3-enoic acid
1-[3]pyridyl-heptan-1-one
EINECS 224-157-1
3-Hexenoic acid
3-heptanoylpyridine
n-hexyl 3-pyridyl ketone
Hex-3-ensaeure
1-(pyridin-3-yl)heptan-1-one
1-[3]Pyridyl-heptan-1-on

Chemical & Physical Properties

[ Density]:
0.985g/cm3

[ Boiling Point ]:
209ºC at 760mmHg

[ Melting Point ]:
12°C

[ Molecular Formula ]:
C₆H₁₀O₂

[ Molecular Weight ]:
114.14200

[ Flash Point ]:
106.4ºC

[ Exact Mass ]:
114.06800

[ PSA ]:
37.30000

[ LogP ]:
1.42730

[ Index of Refraction ]:
1.455

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: MP7730000

CHEMICAL NAME :: 3-Hexenoic acid

CAS REGISTRY NUMBER :: 4219-24-3

BEILSTEIN REFERENCE NO. :: 1745294

LAST UPDATED :: 199712

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C6-H10-O2

MOLECULAR WEIGHT :: 114.16

WISWESSER LINE NOTATION :: QV2U3

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1840 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JPPMAB Journal of Pharmacy and Pharmacology. (Pharmaceutical Soc. of Great Britain, 1 Lambeth High St., London SEI 7JN, UK) V.1- 1949- Volume(issue)/page/year: 21,85,1969

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1840 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JPPMAB Journal of Pharmacy and Pharmacology. (Pharmaceutical Soc. of Great Britain, 1 Lambeth High St., London SEI 7JN, UK) V.1- 1949- Volume(issue)/page/year: 21,85,1969

Safety Information

[ HS Code ]:
2916190090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

Pent-1-ene
sodium,pentane
5-Hexenoic acid
Sorbic acid
4-ethenyloxetan-2-one
METHYLMAGNESIUM BROMIDE
Malonic acid
Butyraldehyde
3-hexen-1-ol

DownStream

Malonic acid
penta-1,2-diene
γ-Caprolactone
3-Hydroxyhexanoic Acid
(2E)-2-Hexenoic acid
hepta-2,4-dienoic acid
4-hydroxyhexanoic acid
penicillin F
acetic acid
Butyric Acid

Customs

[ HS Code ]: 2916190090

[ Summary ]:
2916190090 unsaturated acyclic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:6.5%。general tariff:30.0%

Related Compounds

(Z)-3-hexenoic acid
(E)-3-hexenoic acid
3-Hexenoic acid,5-methyl
3-Hexenoic acid,6-phenyl
2-METHYL-3-HEXENOIC ACID
4-chloro-3-hexenoic acid
2-Cyano-N-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyridine-4-carboxamide
2-Cyano-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]pyridine-4-carboxamide
(1-(5-Methoxybenzo[d]thiazol-2-yl)azetidin-3-yl)(4-(5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)methanone
N-(2-((3-(pyrazin-2-yl)-1,2,4-oxadiazol-5-yl)methyl)phenyl)-3-(1H-tetrazol-1-yl)benzamide
5-bromo-N-(2-{[3-(pyrazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl}phenyl)furan-2-carboxamide
2,4-difluoro-N-(2-((3-(pyrazin-2-yl)-1,2,4-oxadiazol-5-yl)methyl)phenyl)benzamide
4-(Triphenylsilyl)aniline
2-(Naphthalen-1-yl)-1-(3-phenylazepan-1-yl)ethanone
1-(4,4-Dimethylpent-2-yn-1-yl)cyclopentan-1-ol
1-(3-Methoxyprop-2-yn-1-yl)cyclopentan-1-ol