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Substance Name: 2,6-Dimethyl-2-heptanol
RN: 13254-34-7
UNII: 991142090Z
InChIKey: HGDVHRITTGWMJK-UHFFFAOYSA-N

Note

  • Fragrance.

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C9-H20-O

Molecular Weight

  • 144.256
 
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Names and Synonyms

Name of Substance

  • 2,6-Dimethyl-2-heptanol

Synonyms

  • 2,6-Dimethylheptan-2-ol
  • 2-01-00-00457 (Beilstein Handbook Reference)
  • 2-Heptanol, 2,6-dimethyl-
  • BRN 1733525
  • Dimetol
  • EINECS 236-244-1
  • Freesiol
  • Lolitol
  • UNII-991142090Z

Systematic Names

  • 2,6-Dimethylheptan-1-ol
  • 2-Heptanol, 2,6-dimethyl-

Registry Numbers

CAS Registry Number

  • 13254-34-7

FDA UNII

  • 991142090Z

Other Registry Number

  • 80450-43-7

System Generated Number

  • 0013254347

Structure Descriptors

InChI

InChI=1S/C9H20O/c1-8(2)6-5-7-9(3,4)10/h8,10H,5-7H2,1-4H3

InChIKey

HGDVHRITTGWMJK-UHFFFAOYSA-N

Smiles

CC(C)CCCC(C)(C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 30, Pg. 23S, 1992.
rat LD50 oral 6800mg/kg (6800mg/kg)   Food and Chemical Toxicology. Vol. 30, Pg. 23S, 1992.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 173 deg C   EXP
log P (octanol-water) 3.110 (none)   EST
Atmospheric OH Rate Constant 1.11E-11 cm3/molecule-sec 25 EST

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