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Substance Name: Octylaldehyde
RN: 124-13-0
UNII: XGE9999H19
InChIKey: NUJGJRNETVAIRJ-UHFFFAOYSA-N

Classification Codes

  • Natural Product
  • Skin / Eye Irritant

Molecular Formula

  • C8-H16-O

Molecular Weight

  • 128.2134
 
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Names and Synonyms

Name of Substance

  • Caprylic aldehyde
  • Octylaldehyde

Synonyms

  • 1-Octanal
  • 4-01-00-03337 (Beilstein Handbook Reference)
  • AI3-03961
  • Aldehyde C-8
  • Antifoam-LF
  • BRN 1744086
  • C-8 aldehyde
  • Caprylaldehyde
  • Caprylic aldehyde
  • EC 204-683-8
  • EINECS 204-683-8
  • FEMA No. 2797
  • HSDB 5147
  • n-Caprylaldehyde
  • n-Octaldehyde
  • n-Octanal
  • n-Octyl aldehyde
  • n-Octylal
  • NSC 1508
  • Octaldehyde
  • Octanal
  • Octanal (natural)
  • Octanal, tech.
  • Octanaldehyde
  • Octanoic aldehyde
  • Octylaldehyde
  • UNII-XGE9999H19

Systematic Names

  • 1-Octanal
  • Octanal

Superlist Names

  • Caprylaldehyde
  • Octanal
  • Octyl aldehyde
  • Octyl aldehydes

Registry Numbers

CAS Registry Number

  • 124-13-0

FDA UNII

  • XGE9999H19

System Generated Number

  • 0000124130

Structure Descriptors

InChI

1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3

InChIKey

NUJGJRNETVAIRJ-UHFFFAOYSA-N

Smiles

C(CCCC)CCC=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -2.30E+01 deg C   EXP
Boiling Point 171 deg C   EXP
log P (octanol-water) 2.780 (none)   EST
Water Solubility 560 mg/L 25 EXP
Henry's Law Constant 5.14E-04 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 3.17E-11 cm3/molecule-sec 25 EST

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