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Substance Name: 2-Methyl-2-pentenal
RN: 623-36-9
UNII: 947O3MC76M
InChIKey: IDEYZABHVQLHAF-GQCTYLIASA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C6-H10-O

Molecular Weight

  • 98.144
 
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Names and Synonyms

Name of Substance

  • 2-Methyl-2-pentenal

Synonyms

  • 2,4-Dimethylcrotonaldehyde
  • 2-Methyl-2-penten-1-al
  • 2-Methyl-2-pentenal
  • 2-Methyl-2-pentene-1-al
  • 2-Methyl-3-ethylacrolein
  • 2-Pentenal, 2-methyl-
  • 4-01-00-03471 (Beilstein Handbook Reference)
  • alpha-Methyl-beta-ethylacrolein
  • beta-Ethyl-alpha-methylacrolein
  • BRN 0506124
  • EC 210-789-5
  • EINECS 210-789-5
  • FEMA No. 3194
  • NSC 9464
  • UNII-947O3MC76M

Systematic Names

  • 2-Methylpent-2-enal
  • 2-Pentenal, 2-methyl-

Superlist Name

  • 2-Methyl-2-pentenal

Registry Numbers

CAS Registry Number

  • 623-36-9

FDA UNII

  • 947O3MC76M

System Generated Number

  • 0000623369

Structure Descriptors

InChI

1S/C6H10O/c1-3-4-6(2)5-7/h4-5H,3H2,1-2H3/b6-4+

InChIKey

IDEYZABHVQLHAF-GQCTYLIASA-N

Smiles

CC/C=C(\C)/C=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 4500uL/kg (4.5mL/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
rat LC50 inhalation 2000ppm/4H (2000ppm)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
rat LD50 oral 4290mg/kg (4290mg/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 136.5 deg C   EXP
log P (octanol-water) 1.640 (none)   EST
Atmospheric OH Rate Constant 4.77E-11 cm3/molecule-sec 25 EST

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