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Substance Name: 1-Butyl mercaptan
RN: 109-79-5
UNII: 77OY909F30
InChIKey: WQAQPCDUOCURKW-UHFFFAOYSA-N

Note

  • Hydrolytic product of merphos.

Molecular Formula

  • C4-H10-S

Molecular Weight

  • 90.189
 

Classification Codes

Classification Codes

  • Reproductive Effect
  • Skin / Eye Irritant

Superlist Classification Codes

  • TWA (0.5 ppm)
  • TWA 10 ppm (35 mg/m3)
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Names and Synonyms

Name of Substance

  • 1-Butyl mercaptan
  • n-Butyl mercaptan

Synonyms

  • 1-Butanethiol
  • 1-Mercaptobutane
  • 4-01-00-01555 (Beilstein Handbook Reference)
  • AI3-22954
  • Bear skunk
  • BRN 1730908
  • Butanethiol
  • Butyl mercaptan
  • Butylthiol
  • Caswell No. 119D
  • EINECS 203-705-3
  • EPA Pesticide Chemical Code 125001
  • FEMA No. 3478
  • HSDB 290
  • n-Butanethiol
  • n-Butyl mercaptan
  • n-Butyl thioalcohol
  • n-Butylmercaptan
  • NCI-C60866
  • Normal butyl thioalcohol
  • Thiobutyl alcohol
  • UNII-77OY909F30

Systematic Names

  • 1-Butanethiol
  • n-Butanethiol

Superlist Names

  • 1-Butanethiol
  • Butanethiol
  • Butyl mercaptan
  • n-Butyl mercaptan

Registry Numbers

CAS Registry Number

  • 109-79-5

FDA UNII

  • 77OY909F30

Related Registry Numbers

  • 23601-34-5 (mercury(+2) salt)
  • 36169-16-1 (tin(+2) salt)
  • 4779-86-6 (hydrochloride salt)

System Generated Number

  • 0000109795

Structure Descriptors

InChI

1S/C4H10S/c1-2-3-4-5/h5H,2-4H2,1H3

InChIKey

WQAQPCDUOCURKW-UHFFFAOYSA-N

Smiles

C(CC)CS

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LC50 inhalation 770ppm/30M (770ppm)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 982, 1986.
mouse LC50 inhalation 2500ppm/4H (2500ppm) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE
American Industrial Hygiene Association Journal. Vol. 19, Pg. 171, 1958.
mouse LD50 oral 3gm/kg (3000mg/kg)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 982, 1986.
rat LC50 inhalation 4020ppm/4H (4020ppm) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE
American Industrial Hygiene Association Journal. Vol. 19, Pg. 171, 1958.
rat LD50 intraperitoneal 399mg/kg (399mg/kg) BEHAVIORAL: COMA

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
American Industrial Hygiene Association Journal. Vol. 19, Pg. 171, 1958.
rat LD50 oral 1500mg/kg (1500mg/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 -1.16E+02 deg C   EXP
Boiling Point 98.5 deg C   EXP
log P (octanol-water) 2.28 (none)   EXP
Water Solubility 597 mg/L 20 EXP
Vapor Pressure 45.5 mm Hg 25 EXP
Henry's Law Constant 9.08E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.10E-11 cm3/molecule-sec 25 EXP

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