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Substance Name: N-Heptanal
RN: 111-71-7
UNII: 92N104S3HF
InChIKey: FXHGMKSSBGDXIY-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C7-H14-O

Molecular Weight

  • 114.1866
 
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Names and Synonyms

Name of Substance

  • Heptanal
  • n-Heptanal

Synonyms

  • 4-01-00-03314 (Beilstein Handbook Reference)
  • AI3-02066
  • Aldehyde C-7
  • BRN 1560236
  • CCRIS 6041
  • EC 203-898-4
  • EINECS 203-898-4
  • Enanthal
  • Enanthaldehyde
  • Enanthic aldehyde
  • Enanthole
  • FEMA No. 2540
  • FEMA Number 2541
  • Heptaldehyde
  • Heptanal
  • Heptanal (natural)
  • Heptanaldehyde
  • Heptyl aldehyde
  • Heptylaldehyde
  • HSDB 6026
  • n-Heptaldehyde
  • n-Heptanal
  • n-Heptylaldehyde
  • NSC 2190
  • Oenanthal
  • Oenanthaldehyde
  • Oenanthic aldehyde
  • Oenanthol
  • UNII-92N104S3HF

Systematic Names

  • Heptanal
  • n-Heptanal

Superlist Names

  • Heptanal
  • n-Heptaldehyde [UN3056] [Flammable liquid]
  • UN3056

Registry Numbers

CAS Registry Number

  • 111-71-7

FDA UNII

  • 92N104S3HF

System Generated Number

  • 0000111717

Structure Descriptors

InChI

1S/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H3

InChIKey

FXHGMKSSBGDXIY-UHFFFAOYSA-N

Smiles

C(CCC=O)CCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 400mg/kg (400mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

SKIN AND APPENDAGES (SKIN): HAIR: OTHER

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
National Technical Information Service. Vol. OTS0533620,
mouse LD50 oral 3200mg/kg (3200mg/kg) BEHAVIORAL: MUSCLE WEAKNESS National Technical Information Service. Vol. OTS0533620,
rabbit LD50 skin > 5gm/kg (5000mg/kg)   National Technical Information Service. Vol. OTS0534465,
rat LC50 inhalation > 18400mg/m3/4 (18400mg/m3) BEHAVIORAL: EXCITEMENT

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
National Technical Information Service. Vol. OTS0534501,
rat LD50 intraperitoneal 1600mg/kg (1600mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
National Technical Information Service. Vol. OTS0533620,
rat LD50 oral 3200mg/kg (3200mg/kg) BEHAVIORAL: MUSCLE WEAKNESS National Technical Information Service. Vol. OTS0533620,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -4.33E+01 deg C   EXP
Boiling Point 152.8 deg C   EXP
log P (octanol-water) 2.290 (none)   EST
Water Solubility 1250 mg/L 25 EXP
Vapor Pressure 3.52 mm Hg 25 EXP
Henry's Law Constant 2.70E-04 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 3.02E-11 cm3/molecule-sec 25 EST

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