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Substance Name: Acetaldol
RN: 107-89-1
UNII: 8C6G962B53
InChIKey: HSJKGGMUJITCBW-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C4-H8-O2

Molecular Weight

  • 88.1052
 
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Names and Synonyms

Name of Substance

  • 3-Hydroxybutanal
  • Acetaldol
  • Aldol

Synonyms

  • 3-Butanolal
  • 3-Hydroxybutanal
  • 3-Hydroxybutyraldehyde
  • 4-01-00-03984 (Beilstein Handbook Reference)
  • Acetaldol
  • AI3-18874
  • Aldol
  • beta-Hydroxybutyraldehyde
  • BRN 1735845
  • Butanal, 3-hydroxy-
  • Butyraldehyde, 3-hydroxy-
  • EINECS 203-530-2
  • HSDB 2663
  • NSC 7610
  • Oxybutanal
  • Oxybutyric aldehyde
  • UNII-8C6G962B53

Systematic Names

  • 3-Hydroxybutyraldehyde
  • Butanal, 3-hydroxy-
  • Butyraldehyde, 3-hydroxy-

Superlist Names

  • Aldol
  • Aldol [UN2839] [Poison]
  • Butanal, 3-hydroxy-
  • UN2839

Registry Numbers

CAS Registry Number

  • 107-89-1

FDA UNII

  • 8C6G962B53

Other Registry Number

  • 115827-11-7

System Generated Number

  • 0000107891

Structure Descriptors

InChI

1S/C4H8O2/c1-4(6)2-3-5/h3-4,6H,2H2,1H3

InChIKey

HSJKGGMUJITCBW-UHFFFAOYSA-N

Smiles

C(C(C)O)C=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 140mg/kg (140mg/kg)   Union Carbide Data Sheet. Vol. 4/21/1967,
rat LD50 oral 2180mg/kg (2180mg/kg)   Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 60, 1949.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
log P (octanol-water) -0.720 (none)   EST
Water Solubility 1.00E+06 mg/L   EXP
Atmospheric OH Rate Constant 4.84E-11 cm3/molecule-sec 25 EST

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