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Substance Name: 1,5-Dihydroxy-3-methylpentane
RN: 4457-71-0
UNII: 88495M4HNS
InChIKey: SXFJDZNJHVPHPH-UHFFFAOYSA-N

Molecular Formula

  • C6-H14-O2

Molecular Weight

  • 118.175
 
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Names and Synonyms

Name of Substance

  • 1,5-Dihydroxy-3-methylpentane

Synonyms

  • 1,5-Dihydroxy-3-methylpentane
  • 3-Methyl-1,5-pentanediol
  • 4-01-00-02571 (Beilstein Handbook Reference)
  • AI3-28481
  • BRN 1697331
  • EC 224-709-1
  • EINECS 224-709-1
  • NSC 6496
  • UNII-88495M4HNS

Systematic Names

  • 1,5-Pentanediol, 3-methyl-
  • 3-Methylpentane-1,5-diol

Superlist Name

  • 3-Methyl-1,5-pentanediol

Registry Numbers

CAS Registry Number

  • 4457-71-0

FDA UNII

  • 88495M4HNS

System Generated Number

  • 0004457710

Structure Descriptors

InChI

1S/C6H14O2/c1-6(2-4-7)3-5-8/h6-8H,2-5H2,1H3

InChIKey

SXFJDZNJHVPHPH-UHFFFAOYSA-N

Smiles

C(CCO)(CCO)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 320mg/kg (320mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01094,