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Substance Name: Amyl mercaptan
RN: 110-66-7
UNII: 9A3YK965F3
InChIKey: ZRKMQKLGEQPLNS-UHFFFAOYSA-N

Molecular Formula

  • C5-H12-S

Molecular Weight

  • 104.2158
 
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Names and Synonyms

Name of Substance

  • Amyl mercaptan
  • n-Amyl mercaptan

Synonyms

  • 1-Pentanethiol
  • 2-Methyl-1-butanethiol
  • 2-Methylbutyl mercaptan
  • 4-01-00-01653 (Beilstein Handbook Reference)
  • Amyl hydrosulfide
  • Amyl mercaptan
  • Amyl sulfhydrate
  • Amyl thioalcohol
  • BRN 1730979
  • Caswell No. 642A
  • EINECS 203-789-1
  • EPA Pesticide Chemical Code 100701
  • HSDB 468
  • Mercaptan amilique
  • Mercaptan amilique [French]
  • Mercaptan amylique
  • Mercaptan amylique [French]
  • n-Amyl mercaptan
  • n-Pentylmercaptan
  • n-Thioamyl alcohol
  • Pentalarm
  • Pentanethiol
  • Pentyl mercaptan
  • Thioamyl alcohol
  • UNII-9A3YK965F3

Systematic Name

  • 1-Pentanethiol

Superlist Names

  • 1-Pentanethiol
  • Amyl mercaptan
  • Amyl mercaptans
  • Pentylmercaptan

Registry Numbers

CAS Registry Number

  • 110-66-7

FDA UNII

  • 9A3YK965F3

System Generated Number

  • 0000110667

Structure Descriptors

InChI

1S/C5H12S/c1-2-3-4-5-6/h6H,2-5H2,1H3

InChIKey

ZRKMQKLGEQPLNS-UHFFFAOYSA-N

Smiles

C(CCS)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous > 100mg/kg (100mg/kg)   Nature. Vol. 174, Pg. 737, 1954.
rat LCLo inhalation 2000ppm/4H (2000ppm)   Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 343, 1949.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -7.57E+01 deg C   EXP
Boiling Point 126.6 deg C   EXP
log P (octanol-water) 2.740 (none)   EST
Water Solubility 156 mg/L 20 EXP
Vapor Pressure 13.8 mm Hg 25 EXP
Henry's Law Constant 0.012 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.56E-11 cm3/molecule-sec 25 EST

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