1-(Decylthio)-2,3,6-trimethyl-6-hepten-4-yn-3-ol

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Names

[ CAS No. ]:
102244-23-5

[ Name ]:
1-(Decylthio)-2,3,6-trimethyl-6-hepten-4-yn-3-ol

[Synonym ]:
2,5,6-Trimethyl-7-decylthiohept-1-en-3-yn-5-ol

Chemical & Physical Properties

[ Density]:
0.93g/cm3

[ Boiling Point ]:
425.4ºC at 760mmHg

[ Molecular Formula ]:
C20H36OS

[ Molecular Weight ]:
324.56400

[ Flash Point ]:
206.5ºC

[ Exact Mass ]:
324.24900

[ PSA ]:
45.53000

[ LogP ]:
5.82690

[ Vapour Pressure ]:
5.1E-09mmHg at 25°C

[ Index of Refraction ]:
1.495

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MJ9743200
CHEMICAL NAME :
6-Hepten-4-yn-3-ol, 1-(decylthio)-2,3,6-trimethyl-
CAS REGISTRY NUMBER :
102244-23-5
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C20-H36-O-S
MOLECULAR WEIGHT :
324.62
WISWESSER LINE NOTATION :
10S1Y1&XQ1&1UU1Y1&U1

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 :
900 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 20,89,1986

Synthetic Route

Click to get detail synthetic route

Related Compounds

  • 2,3,6-trimethyl-1-pentylsulfanylhept-6-en-4-yn-3-ol
  • 2,3,6-trimethyl-1-nonylsulfanyl-hept-6-en-4-yn-3-ol
  • 1-ethylsulfanyl-2,3,6-trimethylhept-6-en-4-yn-3-ol
  • 1-butylsulfanyl-2,3,6-trimethylhept-6-en-4-yn-3-ol
  • 1-hexylsulfanyl-2,3,6-trimethylhept-6-en-4-yn-3-ol
  • 6-HEPTEN-4-YN-3-OL, 1-(HEPTYLTHIO)-2,3,6-TRIMETHYL-
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-cyclopropyl-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
  • 3-(3-Chloroprop-2-enamido)propanoic acid
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine