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Substance Name: 1,3-Pentanediol, 2-ethyl-
RN: 29887-11-4
InChIKey: CMFPYSAYYUSFQC-UHFFFAOYSA-N

Molecular Formula

  • C7-H16-O2

Molecular Weight

  • 132.201
 
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Names and Synonyms

Synonyms

  • 2-Aethyl-4-methylbutandiol-1,3
  • 2-Aethyl-4-methylbutandiol-1,3 [German]
  • 2-Ethyl-1,3-pentanediol
  • BRN 2069527

Systematic Name

  • 1,3-Pentanediol, 2-ethyl-

Registry Numbers

CAS Registry Number

  • 29887-11-4

System Generated Number

  • 0029887114

Structure Descriptors

InChI

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

InChIKey

CMFPYSAYYUSFQC-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 6300mg/kg (6300mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 228, Pg. 367, 1956.