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Substance Name: Hexaldehyde
RN: 66-25-1
UNII: 9DC2K31JJQ
InChIKey: JARKCYVAAOWBJS-UHFFFAOYSA-N

Classification Codes

  • Anti-Infective Agents
  • Antifungal Agents
  • Insecticides
  • Mutation Data
  • Natural Product
  • Pesticides
  • Skin / Eye Irritant

Molecular Formula

  • C6-H12-O

Molecular Weight

  • 100.1598
 
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Names and Synonyms

Name of Substance

  • Hexaldehyde
  • n-Hexanal

Synonyms

  • 1-Hexanal
  • 4-01-00-03296 (Beilstein Handbook Reference)
  • AI3-15364
  • Aldehyde C-6
  • BRN 0506198
  • C6 aldehyde
  • Caproaldehyde
  • Caproic aldehyde
  • Capronaldehyde
  • CCRIS 3219
  • EC 200-624-5
  • EINECS 200-624-5
  • FEMA No. 2557
  • FEMA Number 2557
  • Hexaldehyde
  • Hexanal
  • Hexanal (natural)
  • Hexanaldehyde
  • Hexoic aldehyde
  • Hexylaldehyde
  • HSDB 560
  • Kapronaldehyd
  • Kapronaldehyd [Czech]
  • n-Caproaldehyde
  • n-Caproic aldehyde
  • n-Capronaldehyde
  • n-Caproylaldehyde
  • n-Hexaldehyde
  • n-Hexanal
  • NSC 2596
  • UNII-9DC2K31JJQ

Systematic Names

  • Hexaldehyde
  • Hexanal

Superlist Names

  • Hexaldehyde [UN1207] [Flammable liquid]
  • Hexanal
  • UN1207

Registry Numbers

CAS Registry Number

  • 66-25-1

FDA UNII

  • 9DC2K31JJQ

System Generated Number

  • 0000066251

Structure Descriptors

InChI

1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3

InChIKey

JARKCYVAAOWBJS-UHFFFAOYSA-N

Smiles

CCCCCC=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 oral 3700mg/kg (3700mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(10), Pg. 25, 1988.
mouse LD50 oral 8292mg/kg (8292mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Yukagaku. Oil Chemistry. Vol. 26, Pg. 169, 1977.
rat LCLo inhalation 2000ppm/4H (2000ppm)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
rat LD50 oral 4890mg/kg (4890mg/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -5.60E+01 deg C   EXP
Boiling Point 131 deg C   EXP
log P (octanol-water) 1.78 (none)   EXP
Water Solubility 5640 mg/L 30 EXP
Vapor Pressure 11.3 mm Hg 25 EXP
Henry's Law Constant 2.13E-04 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 3.17E-11 cm3/molecule-sec 23 EXP

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