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3-cyclohexyl propyl propionate

Chemical Structure

General Material Information

Preferred name 3-cyclohexyl propyl propionate
Trivial Name Cyclohexanepropanol, 1-propanoate
Short Description 3-cyclohexylpropyl propionate
Formula C12 H22 O2
CAS Number 97158-38-8
ECHA Number 306-369-7
FDA UNII PY4NG26KRD
Nikkaji Number J333.689A
xLogP3-AA 4.00 (est)
NMR Predictor External link
Synonyms
  • 3-cyclohexylpropyl propanoate
  • 3-cyclohexylpropyl propionate
  • Cyclohexanepropanol, 1-propanoate
  • Cyclohexanepropanol, propanoate
  • 3-Cyclohexylpropyl propanoate

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Other Information

(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
HMDB (The Human Metabolome Database):Search
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 198.30574035645
Specific gravity @ 20 °C
Pounds per Gallon
Boiling Point 125 to 126°C @ 2.2 mm Hg
Boiling Point 248 to 249°C @ 760 mm Hg
Vapor Pressure 0.024 mmHg @ 25 °C
Flash Point TCC Value 100.5 °C TCC
logP (o/w) 4.362 est
Solubility
alcohol Yes
water, 5.19 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Green
green, fruity, fresh, blueberry
General comment At 100.00 %. green fruity fresh bilberry

Safety Information

Safety information

Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
Pictogram
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
information only not used for fragrances or flavors
Recommendation for 3-cyclohexyl propyl propionate usage levels up to:
not for fragrance use.
Recommendation for 3-cyclohexyl propyl propionate flavor usage levels up to:
not for flavor use.

Safety references

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :3662099
National Institute of Allergy and Infectious Diseases:Data
3-cyclohexylpropyl propanoate
Chemidplus:0097158388