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Substance Name: t-Butyl mercaptan
RN: 75-66-1
UNII: 489PW92WIV
InChIKey: WMXCDAVJEZZYLT-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C4-H10-S

Molecular Weight

  • 90.189
 
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Names and Synonyms

Name of Substance

  • t-Butyl mercaptan
  • tert-Butylthiol

Synonyms

  • 1,1-Dimethylethanethiol
  • 2-Isobutanethiol
  • 2-Methyl-2-propanethiol
  • 2-Propanethiol, 2-methyl-
  • 4-01-00-01634 (Beilstein Handbook Reference)
  • BRN 0505947
  • EC 200-890-2
  • EINECS 200-890-2
  • HSDB 1611
  • t-Butylmercaptan
  • tert-Butanethiol
  • tert-Butyl mercaptan
  • tert-Butylmercaptan
  • tert-Butylthiol
  • tertiary-Butyl mercaptan
  • UNII-489PW92WIV

Systematic Names

  • 2-Methylpropane-2-thiol
  • 2-Propanethiol, 2-methyl-

Superlist Names

  • 2-Methyl-2-propanethiol
  • 2-Propanethiol, 2-methyl-

Registry Numbers

CAS Registry Number

  • 75-66-1

FDA UNII

  • 489PW92WIV

System Generated Number

  • 0000075661

Structure Descriptors

InChI

1S/C4H10S/c1-4(2,3)5/h5H,1-3H3

InChIKey

WMXCDAVJEZZYLT-UHFFFAOYSA-N

Smiles

C(C)(C)(C)S

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC50 inhalation 16500ppm/4H (16500ppm) BEHAVIORAL: MUSCLE WEAKNESS

BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
American Industrial Hygiene Association Journal. Vol. 19, Pg. 171, 1958.
rat LC50 inhalation 22200ppm/4H (22200ppm) BEHAVIORAL: ATAXIA

BEHAVIORAL: MUSCLE WEAKNESS

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
American Industrial Hygiene Association Journal. Vol. 19, Pg. 171, 1958.
rat LD50 intraperitoneal 590mg/kg (590mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: COMA
American Industrial Hygiene Association Journal. Vol. 19, Pg. 171, 1958.
rat LD50 oral 4729mg/kg (4729mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: COMA
American Industrial Hygiene Association Journal. Vol. 19, Pg. 171, 1958.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -0.5 deg C   EXP
Boiling Point 64.3 deg C   EXP
log P (octanol-water) 2.140 (none)   EST
Water Solubility 2050 mg/L 25 EST
Vapor Pressure 181 mm Hg 25 EXP
Henry's Law Constant 6.11E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.31E-11 cm3/molecule-sec 25 EXP

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