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Substance Name: 2,3-Pentanediol
RN: 42027-23-6
InChIKey: XLMFDCKSFJWJTP-UHFFFAOYSA-N

Note

  • Found in urine of patients with disorders of propionate & methylmalonate metabolism.

Molecular Formula

  • C5-H12-O2

Molecular Weight

  • 104.148
 
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Names and Synonyms

Name of Substance

  • 2,3-Pentanediol

Synonym

  • EINECS 255-632-1

Systematic Name

  • Pentane-2,3-diol

Registry Numbers

CAS Registry Number

  • 42027-23-6

System Generated Number

  • 0042027236

Structure Descriptors

InChI

1S/C5H12O2/c1-3-5(7)4(2)6/h4-7H,3H2,1-2H3

InChIKey

XLMFDCKSFJWJTP-UHFFFAOYSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 187.5 deg C   EXP
log P (octanol-water) 0.130 (none)   EST
Atmospheric OH Rate Constant 2.04E-11 cm3/molecule-sec 25 EST

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