Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 3-Hydroxy-2,2-dimethylpropionaldehyde
RN: 597-31-9
UNII: 6DK0IR9LLR
InChIKey: JJMOMMLADQPZNY-UHFFFAOYSA-N

Molecular Formula

  • C5-H10-O2

Molecular Weight

  • 102.132
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Regulatory Agencies (Superlist Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 3-Hydroxy-2,2-dimethylpropionaldehyde

Synonyms

  • 2,2-Dimethyl-3-hydroxypropanal
  • 2,2-Dimethyl-beta-hydroxypropionaldehyde
  • 2-(Hyroxymethyl)-2-methylpropanal
  • 3-Hydroxy-2,2-dimethylpropanal
  • 3-Hydroxy-2,2-dimethylpropionaldehyde
  • 3-Hydroxypivalaldehyde
  • alpha,alpha-Dimethyl-beta-hydroxypropionaldehyde
  • EINECS 209-895-4
  • HSDB 5711
  • Hydracrylaldehyde, 2,2-dimethyl-
  • Hydroxypivalaldehyde
  • Hydroxypivaldehyde
  • Pentaaldol
  • Pentaldol
  • Propanal, 3-hydroxy-2,2-dimethyl-
  • Propionaldehyde, 3-hydroxy-2,2-dimethyl-
  • UNII-6DK0IR9LLR

Systematic Names

  • 3-Hydroxy-2,2-dimethylpropionaldehyde
  • Hydracrylaldehyde, 2,2-dimethyl- (6CI,7CI,8CI)
  • Propanal, 2,2-dimethyl-3-hydroxy-
  • Propanal, 3-hydroxy-2,2-dimethyl-

Superlist Name

  • Hydracrylaldehyde, 2,2-dimethyl-

Registry Numbers

CAS Registry Number

  • 597-31-9

FDA UNII

  • 6DK0IR9LLR

System Generated Number

  • 0000597319

Structure Descriptors

InChI

1S/C5H10O2/c1-5(2,3-6)4-7/h3,7H,4H2,1-2H3

InChIKey

JJMOMMLADQPZNY-UHFFFAOYSA-N

Smiles

C(CO)(C=O)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1600mg/kg (1600mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
National Technical Information Service. Vol. OTS0533626,
mouse LD50 oral 3200mg/kg (3200mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: MUSCLE WEAKNESS

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
National Technical Information Service. Vol. OTS0533626,
rat LD50 intraperitoneal 800mg/kg (800mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

BEHAVIORAL: ATAXIA

BEHAVIORAL: GENERAL ANESTHETIC
National Technical Information Service. Vol. OTS0533626,
rat LD50 oral 3200mg/kg (3200mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

BEHAVIORAL: ATAXIA

BEHAVIORAL: GENERAL ANESTHETIC
National Technical Information Service. Vol. OTS0533626,

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -0.270 (none)   EST
Water Solubility 4.80E+04 mg/L   EXP
Atmospheric OH Rate Constant 3.47E-11 cm3/molecule-sec 25 EST

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