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Substance Name: 3,5,5-Trimethyl-1-hexanol
RN: 3452-97-9
UNII: O5KUD6I57K
InChIKey: BODRLKRKPXBDBN-UHFFFAOYSA-N

Note

  • Fragrance.

Molecular Formula

  • C9-H20-O

Molecular Weight

  • 144.256
 
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Names and Synonyms

Name of Substance

  • 3,5,5-Trimethyl-1-hexanol

Synonyms

  • 1-Hexanol, 3,5,5-trimethyl-
  • 3,5,5-Trimethyl-1-hexanol
  • 3,5,5-Trimethylhexanol
  • 3,5,5-Trimethylhexyl alcohol
  • AI3-22142
  • Caswell No. 892A
  • EC 222-376-7
  • EINECS 222-376-7
  • EPA Pesticide Chemical Code 492200
  • FEMA No. 3324
  • i-Nonyl alcohol
  • Nonanol
  • Nonylol
  • NSC 83151
  • NSC 97226
  • Trimethylhexyl alcohol
  • UNII-O5KUD6I57K

Systematic Names

  • 1-Hexanol, 3,5,5-trimethyl-
  • 3,5,5-Trimethylhexan-1-ol

Superlist Names

  • 1-Hexanol, 3,5,5-trimethyl-
  • 3,5,5-Trimethyl-1-hexanol
  • 3,5,5-Trimethylhexan-1-ol
  • 3,5,5-Trimethylhexanol

Registry Numbers

CAS Registry Number

  • 3452-97-9

FDA UNII

  • O5KUD6I57K

Other Registry Numbers

  • 140237-16-7
  • 201404-81-1

System Generated Number

  • 0003452979

Structure Descriptors

InChI

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

InChIKey

BODRLKRKPXBDBN-UHFFFAOYSA-N

Smiles

CC(CCO)CC(C)(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 194 deg C   EXP
log P (octanol-water) 3.110 (none)   EST
Water Solubility 572 mg/L 25 EST
Vapor Pressure 0.3 mm Hg 20 EXP
Henry's Law Constant 4.12E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.06E-11 cm3/molecule-sec 25 EST

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