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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,2-8H2,1H3

InChIKey

KZCOBXFFBQJQHH-UHFFFAOYSA-N

Smiles

C(CCCC)CCCS

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.