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Substance Name: Isopentyldiol
RN: 2568-33-4
UNII: 19NOL5474Q
InChIKey: XPFCZYUVICHKDS-UHFFFAOYSA-N

Classification Codes

  • TSCA Flag PMN (a Commenced PMN (Premanufacture Notice) Substance)
  • TSCA Flag S (Substance is Identified in a Final Significant New Use Rule)

Molecular Formula

  • C5-H12-O2

Molecular Weight

  • 104.1478
 
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Names and Synonyms

Name of Substance

  • Isopentyldiol

Synonym

  • UNII-19NOL5474Q

Systematic Name

  • 1,3-Butanediol, 3-methyl-

Registry Numbers

CAS Registry Number

  • 2568-33-4

FDA UNII

  • 19NOL5474Q

System Generated Number

  • 0002568334

Structure Descriptors

InChI

1S/C5H12O2/c1-5(2,7)3-4-6/h6-7H,3-4H2,1-2H3

InChIKey

XPFCZYUVICHKDS-UHFFFAOYSA-N

Smiles

C(CC(C)(O)C)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 202.5 deg C   EXP
log P (octanol-water) 0.160 (none)   EST
Atmospheric OH Rate Constant 9.70E-12 cm3/molecule-sec 25 EST

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