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
Tert-butyl 1-[[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]oxymethyl]cyclobutane-1-carboxylate
2-(Oxetan-3-yloxy)pyridin-4-amine
2-Ethoxy-4-(2-sulfanylethyl)phenol
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-2-phenoxyacetamide
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[(oxolan-2-yl)methyl]prop-2-enamide
2-Ethyl-5-methyl-2,3-dihydropyridazin-3-one
5-Chloro-8-fluoro[1,2,4]triazolo[4,3-c]pyrimidine
4-cyclopropyl-1-(3-methoxyphenyl)-1H-1,2,3-triazole
2,2-Difluoro-1-(pyrimidin-5-yl)ethan-1-amine
3-(5-Chlorothiophen-2-yl)-1,1-difluoropropan-2-amine

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