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Substance Name: Crotyl alcohol
RN: 6117-91-5
UNII: D7F26UNN0B
InChIKey: WCASXYBKJHWFMY-NSCUHMNNSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C4-H8-O

Molecular Weight

  • 72.1062
 
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Names and Synonyms

Name of Substance

  • Crotonyl alcohol
  • Crotyl alcohol

Synonyms

  • 2-01-00-00480 (Beilstein Handbook Reference)
  • 2-Butene-1-ol
  • 2-Butenol
  • 2-Butenyl alcohol
  • 3-Methylallyl alcohol
  • AI3-14902
  • BRN 1719374
  • Crotonyl alcohol
  • Crotonyl alcohol (VAN)
  • Crotyl alcohol
  • Crotyl alcohol (VAN)
  • EINECS 228-086-7
  • Krotylalkohol
  • Krotylalkohol [Czech]
  • NSC 17480
  • UNII-D7F26UNN0B

Systematic Name

  • 2-Buten-1-ol

Superlist Names

  • 2-Buten-1-ol
  • Crotonyl alcohol

Registry Numbers

CAS Registry Number

  • 6117-91-5

FDA UNII

  • D7F26UNN0B

System Generated Number

  • 0006117915

Structure Descriptors

InChI

1S/C4H8O/c1-2-3-4-5/h2-3,5H,4H2,1H3/b3-2+

InChIKey

WCASXYBKJHWFMY-NSCUHMNNSA-N

Smiles

C(=C\C)\CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 1084mg/kg (1084mg/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat LCLo inhalation 2000ppm/4H (2000ppm)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat LD50 oral 793mg/kg (793mg/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.630 (none)   EST
Water Solubility 1.00E+06 mg/L   EXP
Atmospheric OH Rate Constant 5.99E-11 cm3/molecule-sec 25 EST

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