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Substance Name: 2,4-Pentanediol
RN: 625-69-4
UNII: 92H536ZDXF
InChIKey: GTCCGKPBSJZVRZ-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C5-H12-O2

Molecular Weight

  • 104.148
 
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Names and Synonyms

Name of Substance

  • 2,4-Pentanediol

Synonyms

  • 2,4-Amylene glycol
  • 2,4-Amyleneglycol
  • AI3-11547
  • EINECS 210-907-5
  • Isoamylene alcohol
  • NSC 13528
  • NSC 53505
  • Pentanediol-2,4
  • UNII-92H536ZDXF

Systematic Name

  • Pentane-2,4-diol

Registry Numbers

CAS Registry Number

  • 625-69-4

FDA UNII

  • 92H536ZDXF

System Generated Number

  • 0000625694

Structure Descriptors

InChI

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

InChIKey

GTCCGKPBSJZVRZ-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 5792mg/kg (5792mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 45, Pg. 669, 1956.
rabbit LD50 skin 14100uL/kg (14.1mL/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
rat LD50 oral 6860mg/kg (6860mg/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 199 deg C   EXP
log P (octanol-water) 0.130 (none)   EST
Atmospheric OH Rate Constant 1.87E-11 cm3/molecule-sec 25 EST

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