clary acetate
plinyl acetate

Sponsors

Name: [(1S,2R,3R)-1,2-dimethyl-3-prop-1-en-2-ylcyclopentyl] acetate
CAS Number: 94346-09-5Picture of molecule3D/inchi
XlogP3-AA: 3.20 (est)
Molecular Weight: 196.28980000
Formula: C12 H20 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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Pubchem Patents: Search
 
Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 93.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity: 0.94500 to 0.96500 20.00 °C.
Pounds per Gallon - (est).: 7.873 to 8.039
Refractive Index: 1.45100 to 1.47100 @ 20.00 °C.
Boiling Point: 219.00 to 223.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure: 0.810000 mm/Hg @ 25.00 °C.
Vapor Density: 6.8 ( Air = 1 )
Flash Point: 181.00 °F. TCC ( 82.78 °C. )
logP (o/w): 4.090
Soluble in:
 alcohol
 water, 0.061 g/L @ 20 °C (exp)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: herbal
Odor Strength: medium
 warm herbal sage clary sage woody
Odor Description:
at 100.00 %.
warm herbal clary woody
Luebke, William tgsc, (1988)
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Augustus Oils
Plinyl Acetate
Services
BOC Sciences
For experimental / research use only.
Plinyl acetate
 
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
Luebke, William tgsc, (1988)

Dermal Toxicity:
Not determined
Inhalation Toxicity:
inhalation-rat LC50 > 5.03 mg/kg
Luebke, William tgsc, (1988)

 
Safety in Use Information:
Category: fragrance agents
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
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
 
References:
 [(1S,2R,3R)-1,2-dimethyl-3-prop-1-en-2-ylcyclopentyl] acetate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 3086398
Pubchem (sid): 135234566
 
Other Information:
(IUPAC): Atomic Weights of the Elements 2009
(IUPAC): Atomic Weights of the Elements 2009 (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
 
Potential Blenders and core components note
For Odor
amber
acetoxymethyl isolongifolene
FR
formoxymethyl isolongifolene
FR
hydroxymethyl isolongifolene 50% in dpg
FR
floral
anise indene
FR
cassis oxime 10%
FR
clary propionate
FR
coranol (Firmenich)
FR
ethyl linalool
FR
ethyl linalyl acetal
FR
ethyl linalyl acetate
FR
ho leaf oil
FR
ho wood oil
FR
karo karounde absolute
FR
nonisyl propionate
FR
green
acetaldehyde methyl hexyl acetal
FR
fern fragrance
FR
ivy carbaldehyde / methyl anthranilate schiff's base
FR
ivy dioxolane
FR
english
ivy leaf absolute
FR
herbal
amber dioxepine
FR
artemisia vestita wall. leaf oil
FR
bergamot mint herb oil
FR
bornane-3,1-cyclopenta-2-one
FR
clary octenone
FR
clary propyl acetate
FR
clary sage oil replacer
FR
clary sage resin america
FR
clary sage resinoid
FR
clary specialty
FR
costmary oil (chrysanthemum balsamita)
FR
dihexyl (E)-fumarate
FR
dimethyl cyclormol (IFF)
FR
2-(2,4-
dimethyl-3-cyclohexene-1-yl)-4,4-dimethyl-1,3-oxathiane
FR
2,10-
epoxypinane
FR
hay oil
FR
herbal carene
FR
herbal undecanone
FR
ocimene oxirane
FR
1,3-
oxathiane, 2-ethyl-4,4-dimethyl-
FR
sage fragrance
FR
tricyclodecenyl propionate
FR
thujonic
armoise oil
FR
woody
marine formate
FR
zdravetz absolute
FR
For Flavor
 
Potential Uses:
 clary sageFL/FR
 cypressFR
 fir 
 herbalFR
 pineFR
 woodyFR
 
Occurrence (nature, food, other): note
 not found in nature
 
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
 

Articles:

 None found yet.
 
Notes:
Plinyl acetate offers a warm, herbaceous note resembling some aspects of clary sage with a freshly-cut wood hint in the background. It's very useful for herbaceous effects on a woody base note. It's of medium strength, but of very rich body.
 
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