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Substance Name: 2-Methylpentaldehyde
RN: 123-15-9
UNII: 64L45T2504
InChIKey: FTZILAQGHINQQR-UHFFFAOYSA-N

Molecular Formula

  • C6-H12-O

Molecular Weight

  • 100.1598
 
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Names and Synonyms

Name of Substance

  • 2-Methylpentaldehyde

Synonyms

  • 2-Formylpentane
  • 2-Methylpentaldehyde
  • 2-Methylpentanal
  • 2-Methylvaleraldehyde
  • 2-Methylvaleric aldehyde
  • AI3-25464
  • alpha-Methylpentanal
  • alpha-Methylpentenal
  • EC 204-605-2
  • EINECS 204-605-2
  • FEMA No. 3413
  • FEMA Number 3413
  • HSDB 1129
  • NSC 49351
  • Pentanal, 2-methyl-
  • UNII-64L45T2504
  • Valeraldehyde, 2-methyl-

Systematic Names

  • 2-Methylvaleraldehyde
  • Pentanal, 2-methyl-
  • Valeraldehyde, 2-methyl- (8CI)

Superlist Names

  • 2-Methylpentanal
  • 2-Methylvaleraldehyde
  • alpha-Methylvaleraldehyde
  • alpha-Methylvaleraldehyde [UN2367] [Flammable liquid]
  • Pentanal, 2-methyl-
  • UN2367

Registry Numbers

CAS Registry Number

  • 123-15-9

FDA UNII

  • 64L45T2504

Other Registry Number

  • 69685-10-5

System Generated Number

  • 0000123159

Structure Descriptors

InChI

1S/C6H12O/c1-3-4-6(2)5-7/h5-6H,3-4H2,1-2H3

InChIKey

FTZILAQGHINQQR-UHFFFAOYSA-N

Smiles

C(CCC)(C=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 3200mg/kg (3200mg/kg)   Kodak Company Reports. Vol. 21MAY1971,
rat LC inhalation > 1500ppm/6H (1500ppm)   Kodak Company Reports. Vol. 21MAY1971,
rat LD50 oral > 3200mg/kg (3200mg/kg)   Kodak Company Reports. Vol. 21MAY1971,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 117 deg C   EXP
log P (octanol-water) 1.730 (none)   EST
Water Solubility 4200 mg/L 25 EXP
Vapor Pressure 17.9 mm Hg 25 EST
Henry's Law Constant 3.70E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.89E-11 cm3/molecule-sec 25 EST

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