3-hexenoic acid

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Names

[ CAS No. ]:
4219-24-3

[ 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
  • 3-{[5-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2-fluorophenyl]formamido}-2-methylbutanoic acid
  • 6-{[5-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-1,2-oxazol-3-yl]formamido}-4-methylhexanoic acid
  • NI-Pano
  • 5-bromo-2-[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2,2-difluoropropanamido]benzoic acid
  • 3-{[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)bicyclo[2.2.1]heptan-2-yl]formamido}-2,2-difluoropropanoic acid
  • 3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-{[1-(propan-2-yl)cyclopropyl]carbamoyl}propanoic acid
  • 2-[4-({[1-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)cyclopropyl]formamido}methyl)-1H-1,2,3-triazol-1-yl]acetic acid
  • 2-({1-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]cyclopropyl}formamido)-5-methoxypentanoic acid
  • 3-[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2-methylbutanamido]-2,2-dimethylpropanoic acid
  • (2R)-2-{2-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]-4-methylpentanamido}propanoic acid
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