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Substance Name: Dihydroxyacetone [USP]
RN: 96-26-4
UNII: O10DDW6JOO
InChIKey: RXKJFZQQPQGTFL-UHFFFAOYSA-N

Note

  • A ketotriose compound. Its addition to blood preservation solutions results in better maintenance of 2,3-diphosphoglycerate levels during storage. It is readily phosphorylated to dihydroxyacetone phosphate by triokinase in erythrocytes. In combination with naphthoquinones it acts as a sunscreening agent.

Molecular Formula

  • C3-H6-O3

Molecular Weight

  • 90.0774
 

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data
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Names and Synonyms

Name of Substance

  • 1,3-Dihydroxy-2-propanone
  • 1,3-Dihydroxydimethyl ketone
  • 2-Propanone, 1,3-dihydroxy
  • Dihydroxyacetone
  • Dihydroxyacetone [USP]

MeSH Heading

  • Dihydroxyacetone

Synonyms

  • 1,3-Dihydroxy-2-propanone
  • 1,3-Dihydroxyacetone
  • 1,3-Dihydroxypropanone
  • 4-01-00-04119 (Beilstein Handbook Reference)
  • AI3-24477
  • BRN 1740268
  • CCRIS 4899
  • Chromelin
  • Dihydroxyacetone
  • Dihyxal
  • EC 202-494-5
  • EINECS 202-494-5
  • HSDB 7513
  • NSC-24343
  • Otan
  • Oxantin
  • Oxatone
  • Soleal
  • Triulose
  • UNII-O10DDW6JOO
  • Vitadye
  • Viticolor

Systematic Names

  • 1,3-Dihydroxyacetone
  • 2-Propanone, 1,3-dihydroxy-
  • Dihydroxyacetone

Registry Numbers

CAS Registry Number

  • 96-26-4

FDA UNII

  • O10DDW6JOO

System Generated Number

  • 0000096264

Structure Descriptors

InChI

InChI=1S/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2

InChIKey

RXKJFZQQPQGTFL-UHFFFAOYSA-N

Smiles

OCC(=O)CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD intraperitoneal > 8gm/kg (8000mg/kg)   United States Patent Document. Vol. #4049795,
rat LD50 intraperitoneal 8750mg/kg (8750mg/kg)   United States Patent Document. Vol. #4049795,
rat LDLo oral 80gm/kg (80000mg/kg)   United States Patent Document. Vol. #4049795,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 90 deg C   EXP
log P (octanol-water) -0.710 (none)   EST
Water Solubility 5.03E+05 mg/L 25 EST
Vapor Pressure 0.021 mm Hg 25 EST
Henry's Law Constant 1.21E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.18E-12 cm3/molecule-sec 25 EST

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