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Substance Name: 1-Octanethiol
RN: 111-88-6
UNII: 42GO2PA46L
InChIKey: KZCOBXFFBQJQHH-UHFFFAOYSA-N
Molecular Formula
- C8-H18-S
Molecular Weight
- 146.296
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Names and Synonyms
Name of Substance
- 1-Octanethiol
- n-Octanethiol
Synonyms
- 1-Mercaptooctane
- 1-Octylthiol
- AI3-06557
- EC 203-918-1
- EINECS 203-918-1
- HSDB 5552
- n-Octanethiolate
- n-Octyl mercaptan
- n-Octylmercaptan
- NSC 41903
- Octane-1-thiol
- Octyl mercaptan
- Octylmercaptan
- Octylthiol
- UNII-42GO2PA46L
Systematic Names
- 1-Octanethiol
- Octane-1-thiol
Superlist Names
- 1-Octanethiol
- n-Octylmercaptan
Registry Numbers
CAS Registry Number
- 111-88-6
FDA UNII
- 42GO2PA46L
System Generated Number
- 0000111886
Structure Descriptors
InChI
1S/C8H18S/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3InChIKey
KZCOBXFFBQJQHH-UHFFFAOYSA-NSmiles
C(CCCC)Physical Properties
Physical Property | Value | Units | Temp (deg C) | Source |
---|---|---|---|---|
Melting Point | -4.92E+01 | deg C | EXP | |
Boiling Point | 199.1 | deg C | EXP | |
log P (octanol-water) | 4.210 | (none) | EST | |
Water Solubility | 22.6 | mg/L | 25 | EST |
Vapor Pressure | 0.425 | mm Hg | 25 | EXP |
Henry's Law Constant | 0.023 | atm-m3/mole | 25 | EST |
Atmospheric OH Rate Constant | 4.98E-11 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.