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Substance Name: Pentanal, 2,3-dimethyl- (9CI)
RN: 32749-94-3
InChIKey: BOHKXQAJUVXBDQ-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C7-H14-O

Molecular Weight

  • 114.187
 
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Names and Synonyms

Synonyms

  • 2,3-Dimethylpentaldehyde
  • 2,3-Dimethylpentanal
  • 2,3-Dimethylvaleraldehyde
  • AI3-33228
  • BRN 1901854
  • EINECS 251-193-5
  • NSC 73707

Systematic Names

  • 2,3-Dimethylvaleraldehyde
  • Pentanal, 2,3-dimethyl- (9CI)
  • Valeraldehyde, 2,3-dimethyl-

Superlist Names

  • 2,3-Dimethylpentaldehyde
  • Pentanal, 2,3-dimethyl-

Registry Numbers

CAS Registry Number

  • 32749-94-3

System Generated Number

  • 0032749943

Structure Descriptors

InChI

1S/C7H14O/c1-4-6(2)7(3)5-8/h5-7H,4H2,1-3H3

InChIKey

BOHKXQAJUVXBDQ-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 7100uL/kg (7.1mL/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat LC inhalation > 6000ppm/4H (6000ppm)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat LD50 oral 3540uL/kg (3.54mL/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.