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Substance Name: 4-Methyl-3-heptanol
RN: 14979-39-6
UNII: L4RU749510
InChIKey: BKQICAFAUMRYLZ-UHFFFAOYSA-N

Molecular Formula

  • C8-H18-O

Molecular Weight

  • 130.229
 
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Names and Synonyms

Name of Substance

  • 4-Methyl-3-heptanol

Synonyms

  • 4-01-00-01789 (Beilstein Handbook Reference)
  • 4-Methyl-3-heptanol
  • BRN 1733008
  • Caswell No. 570A
  • EINECS 239-058-9
  • EPA Pesticide Chemical Code 571200
  • NSC 93808
  • UNII-L4RU749510

Systematic Names

  • 3-Heptanol, 4-methyl-
  • 3-Heptanol, 4-methyl- (VAN) (8CI)(9CI)
  • 4-Methylheptan-3-ol

Registry Numbers

CAS Registry Number

  • 14979-39-6

FDA UNII

  • L4RU749510

System Generated Number

  • 0014979396

Structure Descriptors

InChI

1S/C8H18O/c1-4-6-7(3)8(9)5-2/h7-9H,4-6H2,1-3H3

InChIKey

BKQICAFAUMRYLZ-UHFFFAOYSA-N

Smiles

C([C@@H]([C@@H](CC)O)C)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03236,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.23E+02 deg C   EXP
Boiling Point 170 deg C   EXP
log P (octanol-water) 2.660 (none)   EST
Water Solubility 1420 mg/L 25 EXP
Atmospheric OH Rate Constant 1.76E-11 cm3/molecule-sec 25 EST

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