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Substance Name: Hexadecanethiol
RN: 2917-26-2
UNII: QR98QIO1QL
InChIKey: ORTRWBYBJVGVQC-UHFFFAOYSA-N

Molecular Formula

  • C16-H34-S

Molecular Weight

  • 258.511
 
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Names and Synonyms

Name of Substance

  • Hexadecanethiol

Synonyms

  • Cetyl mercaptan
  • EINECS 220-846-6
  • Hexadecanethiol
  • Hexadecyl mercaptan
  • n-Hexadecanethiol
  • n-Hexadecyl mercaptan
  • NSC 57866
  • UNII-QR98QIO1QL

Systematic Name

  • 1-Hexadecanethiol

Superlist Names

  • 1-Hexadecanethiol
  • Cetylmercaptan

Registry Numbers

CAS Registry Number

  • 2917-26-2

FDA UNII

  • QR98QIO1QL

System Generated Number

  • 0002917262

Structure Descriptors

InChI

1S/C16H34S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3

InChIKey

ORTRWBYBJVGVQC-UHFFFAOYSA-N

Smiles

C(CCCCCCCC)CCCCCCCS

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 19 deg C   EXP
Boiling Point 334 deg C   EXP
log P (octanol-water) 8.140 (none)   EST
Water Solubility 2.36E-03 mg/L 25 EST
Henry's Law Constant 0.183 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.11E-11 cm3/molecule-sec 25 EST

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