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Substance Name: sec-Butyl alcohol
RN: 78-92-2
UNII: 0TUL3ENK62
InChIKey: BTANRVKWQNVYAZ-UHFFFAOYSA-N

Molecular Formula

  • C4-H10-O

Molecular Weight

  • 74.122
 

Classification Codes

Classification Code

  • Reproductive Effect

Superlist Classification Codes

  • TWA (100 ppm)
  • TWA 150 ppm (450 mg/m3)

Names and Synonyms

Name of Substance

  • 2-Butanol
  • sec-Butyl alcohol

Synonyms

  • 1-Methyl propanol
  • 1-Methyl-1-propanol
  • 1-Methylpropyl alcohol
  • 2-01-00-00400 (Beilstein Handbook Reference)
  • 2-Butanol (natural)
  • 2-Butyl alcohol
  • 2-Hydroxybutane
  • AI3-24189
  • Alcool butylique secondaire
  • Alcool butylique secondaire [French]
  • BRN 0773649
  • Butan-2-ol
  • Butanol secondaire
  • Butanol secondaire [French]
  • Butyl alcohol, sec-
  • Butylene hydrate
  • Caswell No. 119C
  • CCS 301
  • EC 201-158-5
  • EINECS 201-158-5
  • EINECS 240-029-8
  • EPA Pesticide Chemical Code 001502
  • Ethyl methyl carbinol
  • Ethylmethyl carbinol
  • HSDB 674
  • Methyl ethyl carbinol
  • Methylethyl carbinol
  • Methylethylcarbinol
  • NSC 25499
  • s-Butanol
  • s-Butyl alcohol
  • sec-Butanol
  • sec-Butyl alcohol
  • UNII-0TUL3ENK62

Systematic Names

  • (1)-Butan-2-ol
  • 2-Butanol
  • Butan-2-ol
  • sec-Butyl alcohol

Superlist Names

  • 2-Butanol
  • Butyl alcohol, sec-
  • sec-Butanol
  • sec-Butyl alcohol

Registry Numbers

CAS Registry Number

  • 78-92-2

FDA UNII

  • 0TUL3ENK62

Other Registry Number

  • 15892-23-6

Related Registry Number

  • 2269-22-9 (3Al salt)

System Generated Number

  • 0000078922

Structure Descriptors

InChI

1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3

InChIKey

BTANRVKWQNVYAZ-UHFFFAOYSA-N

Smiles

CCC(C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo oral 2400mg/kg (2400mg/kg)   National Technical Information Service. Vol. OTS0572377,
frog LDLo parenteral 15gm/kg (15000mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 50, Pg. 296, 1935.
guinea pig LD50 intraperitoneal 1067mg/kg (1067mg/kg)   EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985.
hamster LD50 intraperitoneal 1218mg/kg (1218mg/kg)   EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985.
mouse LD50 intraperitoneal 771mg/kg (771mg/kg)   Shell Chemical Company. Unpublished Report. Vol. -, Pg. 2, 1961.
mouse LD50 intravenous 764mg/kg (764mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 135, Pg. 330, 1962.
rabbit LD50 intraperitoneal 277mg/kg (277mg/kg)   EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985.
rabbit LD50 oral 4893mg/kg (4893mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

CARDIAC: PULSE RATE

SENSE ORGANS AND SPECIAL SENSES: CORNEAL DAMAGE: EYE
Industrial Medicine and Surgery. Vol. 41, Pg. 31, 1972.
rat LCLo inhalation 16000ppm/4H (16000ppm) SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Shell Chemical Company. Vol. MSDS-5280-4,
rat LD50 intraperitoneal 1193mg/kg (1193mg/kg)   EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985.
rat LD50 intravenous 138mg/kg (138mg/kg)   EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985.
rat LD50 oral 2193mg/kg (2193mg/kg) BEHAVIORAL: COMA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA
National Technical Information Service. Vol. OTS0557575,
rat LD50 skin > 2gm/kg (2000mg/kg)   National Technical Information Service. Vol. OTS0557575,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.15E+02 deg C   EXP
Boiling Point 99.5 deg C   EXP
pKa Dissociation Constant 17.6 (none) 25 EXP
log P (octanol-water) 0.61 (none)   EXP
Water Solubility 1.81E+05 mg/L 25 EXP
Vapor Pressure 18.3 mm Hg 25 EXP
Henry's Law Constant 9.06E-06 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 9.60E-12 cm3/molecule-sec 25 EXP

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