Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 2-Ethylhexaldehyde
RN: 123-05-7
UNII: SEN8S34O6U
InChIKey: LGYNIFWIKSEESD-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C8-H16-O

Molecular Weight

  • 128.2134
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 2-Ethylhexaldehyde
  • 2-Ethylhexanal

Synonyms

  • 2-Ethylcaproaldehyde
  • 2-Ethylhexaldehyde
  • 2-Ethylhexanal
  • 2-Ethylhexylaldehyde
  • 3-Formylheptane
  • 4-01-00-03345 (Beilstein Handbook Reference)
  • AI3-26805
  • alpha-Ethylcaproaldehyde
  • beta-Propyl-alpha-ethylacrolein
  • BRN 1700556
  • Butyl ethyl acetaldehyde
  • Butylethylacetaldehyde
  • CCRIS 4643
  • EC 204-596-5
  • EINECS 204-596-5
  • Ethylbutylacetaldehyde
  • Ethylhexaldehyde
  • Hexanal, 2-ethyl-
  • HSDB 5142
  • NSC 42871
  • Octyl aldehyde
  • UNII-SEN8S34O6U

Systematic Names

  • 2-Ethylhexanal
  • Hexanal, 2-ethyl-

Superlist Names

  • 2-Ethylhexaldehyde
  • 2-Ethylhexanal
  • Hexanal, 2-ethyl-

Registry Numbers

CAS Registry Number

  • 123-05-7

FDA UNII

  • SEN8S34O6U

Other Registry Number

  • 58712-00-8

System Generated Number

  • 0000123057

Structure Descriptors

InChI

1S/C8H16O/c1-3-5-6-8(4-2)7-9/h7-8H,3-6H2,1-2H3

InChIKey

LGYNIFWIKSEESD-UHFFFAOYSA-N

Smiles

C(CCCC)(CC)C=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 skin > 16gm/kg (16000mg/kg)   Food and Chemical Toxicology. Vol. 26, Pg. 319, 1988.
mouse LD50 intraperitoneal 1600mg/kg (1600mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

SKIN AND APPENDAGES (SKIN): HAIR: OTHER

BEHAVIORAL: ATAXIA
National Technical Information Service. Vol. OTS0533623,
mouse LD50 oral 3550mg/kg (3550mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 103, 1982.
rabbit LD50 skin 4135mg/kg (4135mg/kg)   National Technical Information Service. Vol. OTS0534445,
rat LCLo inhalation 4000ppm/4H (4000ppm)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951.
rat LD50 intraperitoneal 500mg/kg (500mg/kg)   Hydrometallurgy. Vol. 3, Pg. 201, 1978.
rat LD50 oral 2600mg/kg (2600mg/kg)   National Technical Information Service. Vol. OTS0534445,
rat LD50 skin > 20mL/kg (20mL/kg) SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" National Technical Information Service. Vol. OTS0533623,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.00E+02 deg C   EXP
Boiling Point 163 deg C   EXP
log P (octanol-water) 2.710 (none)   EST
Water Solubility 400 mg/L 25 EXP
Vapor Pressure 1.8 mm Hg 20 EXP
Henry's Law Constant 7.59E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.40E-11 cm3/molecule-sec 25 EST

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