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Substance Name: 6-Methylheptan-1-ol
RN: 1653-40-3
UNII: IJF7D6C38T
InChIKey: BWDBEAQIHAEVLV-UHFFFAOYSA-N

Molecular Formula

  • C8-H18-O

Molecular Weight

  • 130.229
 
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Names and Synonyms

Name of Substance

  • 6-Methylheptan-1-ol

Synonyms

  • 6-Methyl-1-heptanol
  • UNII-IJF7D6C38T

Systematic Name

  • 1-Heptanol, 6-methyl-

Registry Numbers

CAS Registry Number

  • 1653-40-3

FDA UNII

  • IJF7D6C38T

System Generated Number

  • 0001653403

Structure Descriptors

InChI

1S/C8H18O/c1-8(2)6-4-3-5-7-9/h8-9H,3-7H2,1-2H3

InChIKey

BWDBEAQIHAEVLV-UHFFFAOYSA-N

Smiles

C(CC(C)C)CCCO

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.06E+02 deg C   EXP
Boiling Point 188 deg C   EXP
log P (octanol-water) 2.730 (none)   EST
Water Solubility 647 mg/L 25 EXP
Atmospheric OH Rate Constant 1.25E-11 cm3/molecule-sec 25 EST

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