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Substance Name: Cyclohexyl butyrate
RN: 1551-44-6
UNII: FHH53Z3I16
InChIKey: VZHUBBUZNIULNM-UHFFFAOYSA-N

Molecular Formula

  • C10-H18-O2

Molecular Weight

  • 170.2502
 
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Names and Synonyms

Results Name

  • Cyclohexyl butyrate

Name of Substance

  • Cyclohexyl butyrate

Synonyms

  • 4-06-00-00037 (Beilstein Handbook Reference)
  • AI3-06059
  • BRN 2083414
  • Butanoic acid, cyclohexyl ester
  • Butyric acid, cyclohexyl ester
  • CCRIS 6553
  • Cyclohexanyl butyrate
  • Cyclohexyl butanoate
  • Cyclohexyl butyrate
  • EINECS 216-290-9
  • FEMA No. 2351
  • NSC 53950
  • UNII-FHH53Z3I16

Systematic Names

  • Butanoic acid, cyclohexyl ester
  • Butyric acid, cyclohexyl ester
  • Cyclohexyl butyrate

Superlist Name

  • Cyclohexyl butyrate

Registry Numbers

CAS Registry Number

  • 1551-44-6

FDA UNII

  • FHH53Z3I16

System Generated Number

  • 0001551446

Structure Descriptors

InChI

InChI=1S/C10H18O2/c1-2-6-10(11)12-9-7-4-3-5-8-9/h9H,2-8H2,1H3

InChIKey

VZHUBBUZNIULNM-UHFFFAOYSA-N

Smiles

CCCC(=O)OC1CCCCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 skin > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 26, Pg. 293, 1988.
rat LDLo oral 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 26, Pg. 293, 1988.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 213 deg C   EXP
log P (octanol-water) 3.620 (none)   EST
Atmospheric OH Rate Constant 1.34E-11 cm3/molecule-sec 25 EST

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