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

Modify Date: 2025-08-26 08:28:53

1-(Decylthio)-2,3,6-trimethyl-6-hepten-4-yn-3-ol Structure
1-(Decylthio)-2,3,6-trimethyl-6-hepten-4-yn-3-ol structure
 Common Name 1-(Decylthio)-2,3,6-trimethyl-6-hepten-4-yn-3-ol
CAS Number 102244-23-5 Molecular Weight 324.56400
Density 0.93g/cm3 Boiling Point 425.4ºC at 760mmHg
Molecular Formula C20H36OS Melting Point N/A
MSDS N/A Flash Point 206.5ºC

 Names

Name 1-decylsulfanyl-2,3,6-trimethylhept-6-en-4-yn-3-ol
Synonym More Synonyms

 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
InChIKey HBTWZHREWLKKRH-UHFFFAOYSA-N
SMILES C=C(C)C#CC(C)(O)C(C)CSCCCCCCCCCC

 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

4-(decylthio)-3-methylbutan-2-one structure

4-(decylthio)-3...

CAS#:150545-58-7

2-Metbut-1-en-1yne structure

2-Metbut-1-en-1yne

CAS#:78-80-8

~%

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

1-(Decylthio)-2...

CAS#:102244-23-5

Literature: Gulin, A. V.; Sadirov, S. S.; Khaidarov, K. Kh. Pharmaceutical Chemistry Journal, 1986 , vol. 20, # 2 p. 89 - 90 Khimiko-Farmatsevticheskii Zhurnal, 1986 , vol. 20, # 2 p. 154 - 155

 Synonyms

2,5,6-Trimethyl-7-decylthiohept-1-en-3-yn-5-ol
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Chemsrc provides CAS#:102244-23-5 MSDS, density, melting point, boiling point, structure, etc. Its name is 1-(Decylthio)-2,3,6-trimethyl-6-hepten-4-yn-3-ol>> amp version: 1-(Decylthio)-2,3,6-trimethyl-6-hepten-4-yn-3-ol

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