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Substance Name: Cyclohexenecarboxaldehyde
RN: 1321-16-0
InChIKey: DCFDVJPDXYGCOK-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C7-H10-O

Molecular Weight

  • 110.155
 
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Names and Synonyms

Synonyms

  • Benzaldehyde, tetrahydro-
  • EINECS 215-315-0
  • Tetrahydrobenzaldehyde

Systematic Names

  • Cyclohexenecarbaldehyde
  • Cyclohexenecarboxaldehyde

Superlist Name

  • Cyclohexenecarboxaldehyde

Registry Numbers

CAS Registry Number

  • 1321-16-0

System Generated Number

  • 0001321160

Structure Descriptors

InChI

1S/C7H10O/c8-6-7-4-2-1-3-5-7/h1-2,6-7H,3-5H2

InChIKey

DCFDVJPDXYGCOK-UHFFFAOYSA-N

Smiles

C1[C@@H](CC=CC1)C=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 1750mg/kg (1750mg/kg) BEHAVIORAL: ANTIPSYCHOTIC

BEHAVIORAL: EXCITEMENT

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(11), Pg. 41, 1974.
mammal (species unspecified) LD50 oral 1gm/kg (1000mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 39(4), Pg. 86, 1974.
mouse LC50 inhalation 556mg/m3/4H (556mg/m3) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: EXCITEMENT

BEHAVIORAL: ANTIPSYCHOTIC
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(11), Pg. 41, 1974.
mouse LD50 oral 1gm/kg (1000mg/kg) BEHAVIORAL: ANTIPSYCHOTIC

BEHAVIORAL: EXCITEMENT

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(11), Pg. 41, 1974.
rabbit LD50 oral 1600mg/kg (1600mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: EXCITEMENT

BEHAVIORAL: ANTIPSYCHOTIC
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(11), Pg. 41, 1974.
rabbit LD50 skin 1770uL/kg (1.77mL/kg)   Union Carbide Data Sheet. Vol. 6/28/1965,
rat LD50 oral 1050mg/kg (1050mg/kg) BEHAVIORAL: ANTIPSYCHOTIC

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: EXCITEMENT
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(11), Pg. 41, 1974.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 165 deg C   EXP
log P (octanol-water) 2.020 (none)   EST
Water Solubility 5000 mg/L 20 EXP
Vapor Pressure 1.470 mm Hg 25 EST
Henry's Law Constant 6.83E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.15E-11 cm3/molecule-sec 25 EST

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