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clary acetate

Chemical Structure

General Material Information

Preferred name clary acetate
Trivial Name Plinyl acetate
Short Description plinyl acetate
Formula C12 H20 O2
CAS Number 94346-09-5
FDA UNII Search
xLogP3-AA 3.20 (est)
NMR Predictor External link
Synonyms
  • cyclopentanol, 1,2-dimethyl-3-(1-methylethenyl)-, acetate
  • dimethyl-3-(1-methyl ethenyl) cyclopenthyl acetate
  • 1,2-dimethyl-3-(1-methyl ethenyl) cyclopentyl acetate
  • 1,2-dimethyl-3-(1-methylethenyl)cyclopentyl acetate
  • [(1S,2R,3R)-1,2-dimethyl-3-prop-1-en-2-ylcyclopentyl] acetate
  • plinyl acetate
  • [(1S,2R,3R)-1,2-dimethyl-3-prop-1-en-2-ylcyclopentyl] acetate
  • Cyclopentanol, 1,2-dimethyl-3-(1-methylethenyl)-, 1-acetate
  • 1,2-Dimethyl-3-(prop-1-en-2-yl)cyclopentyl acetate

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
Export Tariff Code:2915.39.9050
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 196.28979492188
Specific gravity @ 20 °C
Pounds per Gallon 7.873 to 8.039
Refractive Index 1.451 to 1.471 @ 20 °C
Boiling Point 219 to 223°C @ 760 mm Hg
Acid Value 1 max KOH/g
Vapor Pressure 0.81 mmHg @ 25 °C
Vapor Density 6.8
Flash Point TCC Value 82.78 °C TCC
logP (o/w) 4.09
Solubility
alcohol Yes
water, 0.061 g/L @ 20 °C (exp) Yes
water No

Organoleptic Properties

Odor Type: Herbal
warm, herbal, sage clary sage, woody
Luebke, William tgsc, (1988) At 100.00 %. warm herbal clary woody

Potential Uses

Applications
Odor purposes Clary sage oil replacer, Cypress oil replacer, Herbal, Pine, Woody
Other purposes Fir

Safety Information

Safety information

European information :
Most important hazard(s):
Xi - Irritant
R 38 - Irritating to skin.
S 02 - Keep out of the reach of children.
S 24 - Avoid contact with skin.
S 36 - Wear suitable protective clothing.
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:
oral-rat LD50 > 2000 mg/kg
SCM Glidco Organics

Dermal Toxicity:
Not determined
Inhalation Toxicity:
inhalation-rat LC50 > 5.03 mg/kg
SCM Glidco Organics

Safety in use information

Category:
fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for clary acetate usage levels up to:
8.0000 % in the fragrance concentrate.
Recommendation for clary 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 Substance Registry Services (TSCA):94346-09-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :3086398
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1993
WGK Germany:2
[(1S,2R,3R)-1,2-dimethyl-3-prop-1-en-2-ylcyclopentyl] acetate
Chemidplus:0094346095