Pellitorine

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Names

[ CAS No. ]:
18836-52-7

[ Name ]:
Pellitorine

[Synonym ]:
methyl trans
(2E,4E)-N-Isobutyl-2,4-decadienamide
trans-2,4-hexadienoate
(2E,4E)-N-Isobutyldeca-2,4-dienamide
pellitorine
METHYL T2 T4 HEXADIENOATE
E,E-N-Isobutyl-2,4-decadienamide
2,4-Decadienamide, N-(2-methylpropyl)-, (2E,4E)-
Pellitorin
Methyl trans,trans-sorbate
(2E,4E)-N-(2-methylpropyl)deca-2,4-dienamide
SORBIC ACID METHYL ESTER

Chemical & Physical Properties

[ Density]:
0.9±0.1 g/cm3

[ Boiling Point ]:
368.7±15.0 °C at 760 mmHg

[ Melting Point ]:
88-89ºC

[ Molecular Formula ]:
C14H25NO

[ Molecular Weight ]:
223.354

[ Flash Point ]:
224.6±5.3 °C

[ Exact Mass ]:
223.193619

[ PSA ]:
29.10000

[ LogP ]:
3.92

[ Vapour Pressure ]:
0.0±0.8 mmHg at 25°C

[ Index of Refraction ]:
1.470

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
HD3510500
CHEMICAL NAME :
2,4-Decadienamide, N-isobutyl-, (E,E)-
CAS REGISTRY NUMBER :
18836-52-7
BEILSTEIN REFERENCE NO. :
1725967
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C14-H25-N-O
MOLECULAR WEIGHT :
223.40

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
700 mg/kg
SEX/DURATION :
female 1-7 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea)
REFERENCE :
IJSIDW Indian Journal of Pharmaceutical Sciences. (Kalina, Santa Cruz (East), Bombay 400 029, India) V.40(2)- 1978- Volume(issue)/page/year: 40,113,1978

Safety Information

[ Hazard Codes ]:
Xi

[ HS Code ]:
2924199090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • cis-pellitorine
  • (2E,4E)-2,4-decadienoic acid
  • Isobutylamine
  • (1E)-1-iodo-hept-1-ene
  • N-(2-methylpropyl)prop-2-enamide
  • Hexanal
  • (E)-N-isobutyl-2-butenamide

DownStream

Customs

[ HS Code ]: 2924199090

[ Summary ]:
2924199090. other acyclic amides (including acyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Related Compounds

  • pellitorine
  • pellitorine
  • 1-((1-isobutylazetidin-3-yl)methyl)-1H-1,2,3-triazole-4-carboxylic acid
  • 4-{[8,9-dimethyl-7-(1,3-thiazol-2-yl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl}phenyl methyl ether
  • 1-(1-(2-fluoroethyl)piperidin-4-yl)-1H-1,2,3-triazole-4-carboxylic acid
  • 1-(3,4-dimethylphenyl)-3-propyl-1H-pyrazol-5-ol
  • 1-(1-(2-fluoroethyl)piperidin-3-yl)-1H-1,2,3-triazole-4-carboxylic acid
  • N-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]pentanamide
  • 1-(1-(2-fluoroethyl)pyrrolidin-3-yl)-1H-1,2,3-triazole-4-carboxylic acid
  • 4-Phenyl-1-phthalazinecarboxylic acid hydrazide
  • 1-((1-(2-fluoroethyl)pyrrolidin-3-yl)methyl)-1H-1,2,3-triazole-4-carboxylic acid
  • N-(3,4-dimethoxyphenyl)-2-((3-oxo-4-(p-tolyl)-3,4-dihydropyrazin-2-yl)thio)acetamide
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