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Substance Name: Cyclohexyl acetate
RN: 622-45-7
UNII: UL0RS4H1UE
InChIKey: YYLLIJHXUHJATK-UHFFFAOYSA-N

Classification Codes

  • Human Data
  • Skin / Eye Irritant

Molecular Formula

  • C8-H14-O2

Molecular Weight

  • 142.197
 
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Names and Synonyms

Name of Substance

  • Cyclohexyl acetate

Synonyms

  • 4-06-00-00036 (Beilstein Handbook Reference)
  • Acetic acid, cyclohexyl ester
  • Adronal acetate
  • AI3-03294
  • BRN 1906543
  • Cyclohexane acetate
  • Cyclohexanol, acetate
  • Cyclohexanolazetat
  • Cyclohexanolazetat [German]
  • Cyclohexanyl acetate
  • Cyclohexyl acetate
  • Cyclohexylester kyseliny octove
  • Cyclohexylester kyseliny octove [Czech]
  • EINECS 210-736-6
  • FEMA No. 2349
  • Hexalin acetate
  • HSDB 2820
  • NSC 8772
  • UNII-UL0RS4H1UE

Systematic Names

  • Acetic acid, cyclohexyl ester
  • Cyclohexyl acetate

Superlist Names

  • Cyclohexyl acetate
  • Cyclohexyl acetate [UN2243] [Flammable liquid]
  • UN2243

Registry Numbers

CAS Registry Number

  • 622-45-7

FDA UNII

  • UL0RS4H1UE

System Generated Number

  • 0000622457

Structure Descriptors

InChI

1S/C8H14O2/c1-7(9)10-8-5-3-2-4-6-8/h8H,2-6H2,1H3

InChIKey

YYLLIJHXUHJATK-UHFFFAOYSA-N

Smiles

C1(CCCCC1)OC(C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo subcutaneous 800mg/kg (800mg/kg)   Archiv fuer Hygiene. Vol. 78, Pg. 260, 1913.
human TCLo inhalation 3000mg/m3/45M (3000mg/m3) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE
Archiv fuer Hygiene. Vol. 78, Pg. 260, 1913.
rabbit LD50 skin 10mL/kg (10mL/kg)   Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974.
rat LD50 oral 6730uL/kg (6.73mL/kg)   Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -6.50E+01 deg C   EXP
Boiling Point 173 deg C   EXP
log P (octanol-water) 2.640 (none)   EST
Water Solubility 728 mg/L 25 EST
Henry's Law Constant 1.20E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.18E-11 cm3/molecule-sec 25 EST

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