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Substance Name: 2,5-Dimethyl-2,5-hexanediol
RN: 110-03-2
UNII: 3PNB2S8721
InChIKey: ZWNMRZQYWRLGMM-UHFFFAOYSA-N

Classification Code

  • TSCA Flag S (Substance is Identified in a Proposed or Final SNUR (Significant New Use Rule) under TSCA)

Molecular Formula

  • C8-H18-O2

Molecular Weight

  • 146.228
 
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Names and Synonyms

Name of Substance

  • 2,5-Dimethyl-2,5-hexanediol

Synonyms

  • 1,1,4,4-Tetramethyl-1,4-butanediol
  • 2,5-Dimethyl-2,5-hexanediol
  • 2,5-Hexanediol, 2,5-dimethyl-
  • AI3-20685
  • Dimethylhexanediol
  • EC 203-731-5
  • EINECS 203-731-5
  • HSDB 5395
  • NSC 5595
  • UNII-3PNB2S8721

Systematic Names

  • 2,5-Dimethylhexane-2,5-diol
  • 2,5-Hexanediol, 2,5-dimethyl-

Superlist Name

  • 2,5-Hexanediol, 2,5-dimethyl-

Registry Numbers

CAS Registry Number

  • 110-03-2

FDA UNII

  • 3PNB2S8721

System Generated Number

  • 0000110032

Structure Descriptors

InChI

1S/C8H18O2/c1-7(2,9)5-6-8(3,4)10/h9-10H,5-6H2,1-4H3

InChIKey

ZWNMRZQYWRLGMM-UHFFFAOYSA-N

Smiles

C(CCC(C)(C)O)(C)(C)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 92 deg C   EXP
Boiling Point 214 deg C   EXP
log P (octanol-water) 1.520 (none)   EST
Atmospheric OH Rate Constant 1.11E-11 cm3/molecule-sec 25 EST

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