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Substance Name: Decaldehyde
RN: 112-31-2
UNII: 31Z90Q7KQJ
InChIKey: KSMVZQYAVGTKIV-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Natural Product
  • Skin / Eye Irritant

Molecular Formula

  • C10-H20-O

Molecular Weight

  • 156.267
 
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Names and Synonyms

Name of Substance

  • Decaldehyde
  • Decanal
  • Decanaldehyde
  • Decyl aldehyde

Synonyms

  • 1-Decanal
  • 1-Decanal(mixed isomers)
  • 1-Decyl aldehyde
  • 4-01-00-03366 (Beilstein Handbook Reference)
  • AI3-04860
  • Aldehyde C10
  • BRN 1362530
  • C-10 aldehyde
  • Capraldehyde
  • Capric aldehyde
  • Caprinaldehyde
  • Caprinic aldehyde
  • Decaldehyde
  • Decanal
  • Decanal (natural)
  • Decanaldehyde
  • Decyl aldehyde
  • Decylic aldehyde
  • EC 203-957-4
  • EINECS 203-957-4
  • FEMA No. 2362
  • HSDB 288
  • n-Decaldehyde
  • n-Decanal
  • n-Decyl aldehyde
  • NSC 6087
  • UNII-31Z90Q7KQJ

Systematic Names

  • 1-Decanal
  • Decanal

Superlist Names

  • Decaldehyde
  • Decanal
  • n-Decaldehyde

Registry Numbers

CAS Registry Number

  • 112-31-2

FDA UNII

  • 31Z90Q7KQJ

System Generated Number

  • 0000112312

Structure Descriptors

InChI

1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3

InChIKey

KSMVZQYAVGTKIV-UHFFFAOYSA-N

Smiles

C(CCCCC)CCCC=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 41750mg/kg (41750mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

SKIN AND APPENDAGES (SKIN): HAIR: OTHER

BEHAVIORAL: EXCITEMENT
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.
rabbit LD50 skin 5040uL/kg (5.04mL/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat LD50 oral 3730uL/kg (3.73mL/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -5.00E+00 deg C   EXP
Boiling Point 208.5 deg C   EXP
log P (octanol-water) 3.760 (none)   EST
Water Solubility 60.8 mg/L 25 EST
Vapor Pressure 0.103 mm Hg 25 EXP
Henry's Law Constant 0.0018 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 3.45E-11 cm3/molecule-sec 25 EST

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