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Substance Name: n-Octadecyl mercaptan
RN: 2885-00-9
InChIKey: QJAOYSPHSNGHNC-UHFFFAOYSA-N

Molecular Formula

  • C18-H38-S

Molecular Weight

  • 286.564
 
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Names and Synonyms

Name of Substance

  • n-Octadecyl mercaptan

Synonyms

  • 1-Mercaptooctadecane
  • EINECS 220-744-1
  • n-Octadecyl mercaptan
  • NSC 5545
  • Octadecanethiol
  • Octadecyl mercaptan
  • Stearyl mercaptan

Systematic Name

  • 1-Octadecanethiol

Superlist Names

  • 1-Octadecanethiol
  • Octadecylmercaptan

Registry Numbers

CAS Registry Number

  • 2885-00-9

System Generated Number

  • 0002885009

Structure Descriptors

InChI

1S/C18H38S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h19H,2-18H2,1H3

InChIKey

QJAOYSPHSNGHNC-UHFFFAOYSA-N

Smiles

C(CCCCCCCCC)CCCCCCCCS

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 30 deg C   EXP
Boiling Point 360 deg C   EXP
log P (octanol-water) 9.120 (none)   EST
Water Solubility 2.37E-04 mg/L 25 EST
Henry's Law Constant 0.323 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.40E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.