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Substance Name: 1,3-Pentanediol, 2,2-dimethyl-
RN: 2157-31-5
InChIKey: QHDADHHODABHLK-UHFFFAOYSA-N

Molecular Formula

  • C7-H16-O2

Molecular Weight

  • 132.201
 
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Names and Synonyms

Synonyms

  • 0-01-00-00490 (Beilstein Handbook Reference)
  • 2,2,4-Trimethylbutandiol-1,3
  • 2,2,4-Trimethylbutandiol-1,3 [German]
  • 2,2-Dimethyl-1,3-pentanediol
  • BRN 1697818

Systematic Name

  • 1,3-Pentanediol, 2,2-dimethyl-

Registry Numbers

CAS Registry Number

  • 2157-31-5

System Generated Number

  • 0002157315

Structure Descriptors

InChI

1S/C7H16O2/c1-4-6(9)7(2,3)5-8/h6,8-9H,4-5H2,1-3H3

InChIKey

QHDADHHODABHLK-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 6gm/kg (6000mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 228, Pg. 367, 1956.