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(R)-citronellyl acetate

Chemical Structure

General Material Information

Preferred name (R)-citronellyl acetate
Trivial Name 6-Octen-1-ol, 3,7-dimethyl-, 1-acetate, (3R)-
Short Description (R)-3,7-dimethyl-6-octen-1-yl acetate
Formula C12 H22 O2
CAS Number 20425-54-1
ECHA Number 243-812-2
FDA UNII 9X45FJL446
xLogP3-AA 3.80 (est)
NMR Predictor External link
Synonyms
  • acetic acid (R)-3,7-dimethyl-6-octenyl ester
  • acetic acid (R)-citronellyl ester
  • (R)-1-acetoxy-3,7-dimethyl oct-6-ene
  • (R)- citronellol acetate
  • (3R)-(+)- citronellyl acetate
  • D- citronellyl acetate
  • dextro- citronellyl acetate
  • (R)- citronellyl ethanoate
  • (R)-(1)-3,7-dimethyl oct-6-enyl acetate
  • (R)-3,7-dimethyl-6-octen-1-yl acetate
  • (R)-3,7-dimethyl-6-octen-1-yl ethanoate
  • (3R)-3,7-dimethyloct-6-en-1-yl acetate
  • (R)-3,7-dimethyloct-6-enyl acetate
  • 6-octen-1-ol, 3,7-dimethyl-, acetate, (3R)-
  • 6-octen-1-ol, 3,7-dimethyl-, acetate, (R)-
  • (3R)-3,7-dimethyl-6-octen-1-yl acetate
  • 6-Octen-1-ol, 3,7-dimethyl-, 1-acetate, (3R)-
  • 6-Octen-1-ol, 3,7-dimethyl-, acetate, (R)-(+)-
  • 6-Octen-1-ol, 3,7-dimethyl-, acetate, (R)-
  • 6-Octen-1-ol, 3,7-dimethyl-, acetate, (3R)-
  • (R)-(+)-Citronellyl acetate
  • (R)-(+)-Citronellol acetate
  • (R)-Citronellol acetate
  • (3R)-3,7-Dimethyl-6-octen-1-ol-acetate

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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
Boiling Point 258 to 259°C @ 760 mm Hg
Vapor Pressure 0.014 mmHg @ 25 °C
Flash Point TCC Value 88.2 °C TCC
logP (o/w) 4.205 est
Solubility
alcohol Yes
water, 5.686 mg/L @ 25 °C (est) Yes

Organoleptic Properties

Odor Type: Citrus
citrus, lime, dirty, aldehydic
General comment At 100.00 %. citrus lime dirty aldehydic

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 (R)-citronellyl acetate usage levels up to:
not for fragrance use.
Recommendation for (R)-citronellyl acetate 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 :9017
National Institute of Allergy and Infectious Diseases:Data
(3R)-3,7-dimethyl-6-octen-1-yl acetate
Chemidplus:0020425541