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-
  • 1-(Dimethyl-1,3-oxazol-2-yl)-2-methylpropan-2-amine
  • (R)-2,2,2-Trifluoro-1-(tetrahydro-2H-pyran-4-yl)ethanamine
  • Rel-(1r,3s)-3-phenethylcyclobutane-1-carboxylic acid
  • (1R)-1-[1-methyl-3-(propan-2-yl)-1H-pyrazol-5-yl]ethan-1-amine
  • (1S)-2-amino-1-(1H-pyrazol-4-yl)ethan-1-ol
  • (1R)-1-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]ethan-1-amine
  • (1R)-3-amino-1-(1-methyl-1H-pyrazol-5-yl)propan-1-ol
  • (2R)-2-amino-2-(1-methylpiperidin-4-yl)ethan-1-ol
  • 2-(Methylamino)-1-(1,2-thiazol-4-yl)ethan-1-one
  • 1-(3-Methoxy-1,2-oxazol-5-yl)cyclopentan-1-amine
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