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Substance Name: Pentanol, 4-methyl-
RN: 1320-98-5
InChIKey: PCWGTDULNUVNBN-UHFFFAOYSA-N

Molecular Formula

  • C6-H14-O

Molecular Weight

  • 102.176
 
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Names and Synonyms

Synonym

  • 4-Methylpentanol

Systematic Name

  • Pentanol, 4-methyl-

Registry Numbers

CAS Registry Number

  • 1320-98-5

System Generated Number

  • 0001320985

Structure Descriptors

InChI

1S/C6H14O/c1-6(2)4-3-5-7/h6-7H,3-5H2,1-2H3

InChIKey

PCWGTDULNUVNBN-UHFFFAOYSA-N

Smiles

C(C(C)C)CCO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 3970uL/kg (3.97mL/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat LD50 oral 6500uL/kg (6.5mL/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) 1.750 (none)   EST
Water Solubility 1.20E+04 mg/L 25 EST
Vapor Pressure 1.700 mm Hg 25 EST
Henry's Law Constant 1.76E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.71E-12 cm3/molecule-sec 25 EST

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