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Substance Name: 2-Penten-4-ol, 4-methyl-
RN: 63468-05-3
InChIKey: OWVUFBAJXKEVBE-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C6-H12-O

Molecular Weight

  • 100.16
 
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Names and Synonyms

Synonym

  • 4-Methyl-2-penten-4-ol

Systematic Name

  • 2-Penten-4-ol, 4-methyl-

Registry Numbers

CAS Registry Number

  • 63468-05-3

System Generated Number

  • 0063468053

Structure Descriptors

InChI

1S/C6H12O/c1-4-5-6(2,3)7/h4-5,7H,1-3H3

InChIKey

OWVUFBAJXKEVBE-UHFFFAOYSA-N

Smiles

C(\C(O)(C)C)=C/C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LCLo inhalation 4390ppm/1H (4390ppm)   Shell Chemical Company. Unpublished Report. Vol. -, Pg. 7, 1961.
mouse LD50 oral 1940mg/kg (1940mg/kg)   Shell Chemical Company. Unpublished Report. Vol. -, Pg. 7, 1961.
rat LDLo oral 3750mg/kg (3750mg/kg)   Shell Chemical Company. Unpublished Report. Vol. -, Pg. 7, 1961.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 112 deg C   EXP
log P (octanol-water) 1.500 (none)   EST
Atmospheric OH Rate Constant 5.77E-11 cm3/molecule-sec 25 EST

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