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Substance Name: 3-Octanol, 3,6-dimethyl-
RN: 151-19-9
InChIKey: NPHCXUPGMINOPP-UHFFFAOYSA-N

Molecular Formula

  • C10-H22-O

Molecular Weight

  • 158.283
 
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Names and Synonyms

Synonyms

  • 3,6-Dimethyl-3-octanol
  • AI3-23412
  • Aprol 100
  • AR 1
  • EINECS 205-787-6
  • NSC 5613

Systematic Names

  • 3,6-Dimethyloctan-3-ol
  • 3-Octanol, 3,6-dimethyl-

Registry Numbers

CAS Registry Number

  • 151-19-9

System Generated Number

  • 0000151199

Structure Descriptors

InChI

1S/C10H22O/c1-5-9(3)7-8-10(4,11)6-2/h9,11H,5-8H2,1-4H3

InChIKey

NPHCXUPGMINOPP-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 797, 1975.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 797, 1975.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -6.75E+01 deg C   EXP
Boiling Point 202.2 deg C   EXP
log P (octanol-water) 3.600 (none)   EST
Atmospheric OH Rate Constant 1.46E-11 cm3/molecule-sec 25 EST

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