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(S)-campholene acetate
(S)-trimenal acetate (IFF)

Supplier Sponsors

Name:2-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]ethyl acetate
CAS Number: 36789-59-0Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:253-212-2
FDA UNII:450PNS9Q6I
Nikkaji Web:J332.359E
XlogP3-AA:2.70 (est)
Molecular Weight:196.28980000
Formula:C12 H20 O2
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
JECFA evaluated campholene acetate (CASrn as in Register). CASrn in Register refers to the (S)-enantiomer. Commercial product (S)-enantiomer (EFFA, 2010a). Synonym (-)-campholenyl acetate (EFFA, 2010a). Register name to be changed to (-)-campholenyl acetate or (S)-campholenyl acetate. (EFFA, 2010a)
Category:flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
JECFA Food Flavoring:969 (S)-campholene acetate
FLAVIS Number:09.289 (Old)
DG SANTE Food Flavourings:09.289 (S)-campholene acetate
FEMA Number:3657 (S)-campholene acetate
FDA:No longer provide for the use of these seven synthetic flavoring substances
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.80200 to 0.82200 @ 20.00 °C.
Pounds per Gallon - (est).: 6.681 to 6.848
Specific Gravity:0.94300 to 0.94900 @ 25.00 °C.
Pounds per Gallon - est.: 7.847 to 7.897
Refractive Index:1.36000 to 1.37000 @ 20.00 °C.
Refractive Index:1.45300 to 1.46000 @ 20.00 °C.
Boiling Point: 226.00 to 227.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.059000 mm/Hg @ 25.00 °C. (est)
Flash Point: 62.00 °F. TCC ( 16.67 °C. )
logP (o/w): 3.944 (est)
Shelf Life: 12.00 month(s) or longer if stored properly.
Storage:refrigerate in tightly sealed containers.
Soluble in:
 alcohol
 water, 9.035 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: herbal
Odor Strength:medium
lavender floral berry woody
Odor Description:at 100.00 %. sweet fresh lavender, floral, berry note with fine woody undertone
Flavor Type: jammy
jammy raspberry fruity
Taste Description: jammy raspberry
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
(S)-2,2,3-trimethylcyclopent-3-ene-1-ethyl acetate
Organica Aromatics
NATURANATE
NLT 90%(sum of isomers)
Odor: Sweet fresh lavender, floral, Berry note with fine woody undertone
Use: Can be used to create floral, lavender, woody, fresh and fruity fragrances. Improves the Organoleptic properties of tobacco products
Parchem
campholene acetate
Penta International
CAMPHOLENE ACETATE, Kosher
 
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:
gavage-rat LD50 [sex: M,F] 4640 - 5270 mg/kg
The study is considered valid.
(Piccirillo et al., 1979)

gavage-rat LD50 [sex: F] 3000 mg/kg
(Piccirillo et al., 1979)

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for (S)-campholene acetate usage levels up to:
  0.5000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.061 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): ND (μg/capita/day)
Structure Class: I
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 13
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): -3.00000
beverages(alcoholic): -3.00000
breakfast cereal: --
cheese: --
chewing gum: -3.00000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: -3.00000
granulated sugar: --
gravies: --
hard candy: -3.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: -3.00000
soups: --
sugar substitutes: --
sweet sauces: --
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): --
Fats and oils, and fat emulsions (type water-in-oil) (02.0): --
Edible ices, including sherbet and sorbet (03.0): --
Processed fruit (04.1): --
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): --
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): --
Bakery wares (07.0): --
Meat and meat products, including poultry and game (08.0): --
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): --
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): --
Foodstuffs intended for particular nutritional uses (13.0): --
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): --
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): --
Ready-to-eat savouries (15.0): --
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): --
 
Safety References:
European Food Safety Athority(efsa):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 12 (FGE.12); Primary saturated or unsaturated alicyclic alcohol, aldehyde, and esters from chemical group 7 (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Primary saturated or unsaturated alicyclic alcohol, aldehyde, and esters from chemical group 7 - Flavouring Group Evaluation 12, Revision 1 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf

Flavouring Group Evaluation 73, (FGE.73)[1] - Consideration of alicyclic primary alcohols, aldehydes, acids and related esters evaluated by JECFA (59th meeting) structurally related to primary saturated or unsaturated alicyclic alcohol, aldehyde and esters evaluated by EFSA in FGE.12 (2005) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 73, Revision 1 (FGE.73Rev1): Consideration of alicyclic primary alcohols, aldehydes, acids and related esters evaluated by JECFA (59th meeting) structurally related to primary saturated or unsaturated alicyclic alcohol, aldehyde, and esters evaluated by EFSA in FGE.12Rev2 (2011)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 73, Revision 2 (FGE.73Rev2): Consideration of alicyclic primary alcohols, aldehydes, acids and related esters evaluated by JECFA (59th meeting) structurally related to primary saturated or unsaturated alicyclic alcohols, aldehydes, acids and esters evaluated by EFSA in FGE.12Rev3 (2012)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 73, Revision 3 (FGE.73Rev3): Consideration of alicyclic alcohols, aldehydes, acids and related esters evaluated by JECFA (59th and 63rd meeting) structurally related to primary saturated or unsaturated alicyclic alcohols, aldehydes, acids and esters evaluated by EFSA in FGE.12Rev4 (2013)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 73, Revision 4 (FGE.73Rev4): consideration of alicyclic alcohols, aldehydes, acids and related esters evaluated by JECFA (59th and 63rd meeting) structurally related to primary saturated or unsaturated alicyclic alcohols, aldehydes, acids and esters evaluated by EFSA in FGE.12Rev5
View page or View pdf

EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :21149427
National Institute of Allergy and Infectious Diseases:Data
2-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]ethyl acetate
Chemidplus:0036789590
 
References:
 2-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]ethyl acetate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:36789-59-0
Pubchem (cid):21149427
Pubchem (sid):135213768
 
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):HMDB32193
FooDB:FDB014897
Export Tariff Code:2915.39.9050
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
anisic
para-
anisyl propanal
FR
balsamic
conifer acetate
FR
fir balsam absolute replacer
FL/FR
fir balsam concrete
FR
berry
sec-
butyl ethyl ether
FL/FR
raspberry ketone
FL/FR
raspberry ketone acetate
FL/FR
raspberry ketone methyl ether
FL/FR
citrus
myrcenyl acetate
FL/FR
earthy
orris specialty
FR
floral
cyclohexyl ethyl acetate
FL/FR
beta-
damascenone
FL/FR
dihydro-alpha-ionone
FL/FR
ethyl ortho-anisate
FL/FR
heliotropyl acetone
FL/FR
hibiscus sabdariffa flower extract
FL/FR
hyacinth ether
FR
beta-
ionyl acetate
FL/FR
beta-
irone
FL/FR
alpha-
irone
FL/FR
jasmopyrane (Givaudan)
FR
linaloe wood oil mexico
FL/FR
myrcenol
FL/FR
beta-
naphthyl anthranilate
FL/FR
orris fragrance
FR
orris rhizome absolute (iris germanica)
FL/FR
orris rhizome absolute (iris pallida)
FL/FR
orris rhizome absolute replacer
FR
orris rhizome oil (iris germanica)
FL/FR
rose carboxylate
FR
terpinyl formate
FL/FR
tetrahydroionyl acetate
FR
fruity
iso
amyl isovalerate
FL/FR
red
apple fragrance
FR
3-
benzyl-4-heptanone
FL/FR
berry hexanoate
FR
butyl 2-naphthyl ether
FL/FR
iso
butyl anthranilate
FL/FR
iso
butyl isovalerate
FL/FR
butyl valerate
FL/FR
(E)-beta-
damascone
FL/FR
dihydroactinidolide
FL/FR
ethyl para-methyl-beta-phenyl glycidate
FR
(E)-
ethyl tiglate
FL/FR
geranyl butyrate
FL/FR
beta-
ionone epoxide
FL/FR
neryl isobutyrate
FL/FR
octyl propionate
FL/FR
3-
phenyl propyl isovalerate
FL/FR
propyl acetate
FL/FR
prune glycidate
FR
4-(para-
tolyl)-2-butanone
FL/FR
herbal
geranium cyclohexane
FR
herbal undecanone
FR
terpineol acetate
FL/FR
sulfurous
mango thiol
FL/FR
waxy
orris rhizome oil CO2 extract
FL/FR
For Flavor
No flavor group found for these
butyl 2-naphthyl ether
FL/FR
sec-
butyl ethyl ether
FL/FR
dihydroactinidolide
FL/FR
ethyl ortho-anisate
FL/FR
beta-
ionone epoxide
FL/FR
linaloe wood oil mexico
FL/FR
myrcenol
FL/FR
3-
phenyl propyl isovalerate
FL/FR
terpineol acetate
FL/FR
balsamic
balsamic
fir balsam absolute replacer
FL/FR
berry
blackberry raspberry flavor
FL
dihydro-alpha-ionone
FL/FR
heliotropyl acetone
FL/FR
hibiscus sabdariffa flower extract
FL/FR
prunus spinosa extract
FL
raspberry ketone
FL/FR
raspberry ketone acetate
FL/FR
raspberry ketone methyl ether
FL/FR
sloeberry flavor
FL
citrus
myrcenyl acetate
FL/FR
estery
octyl propionate
FL/FR
propyl acetate
FL/FR
floral
beta-
irone
FL/FR
orris rhizome oil (iris germanica)
FL/FR
fruity
apple raspberry flavor
FL
3-
benzyl-4-heptanone
FL/FR
brambleberry flavor
FL
iso
butyl anthranilate
FL/FR
butyl valerate
FL/FR
(E)-beta-
damascone
FL/FR
(E)-
ethyl tiglate
FL/FR
geranyl butyrate
FL/FR
beta-
naphthyl anthranilate
FL/FR
neryl isobutyrate
FL/FR
terpinyl formate
FL/FR
4-(para-
tolyl)-2-butanone
FL/FR
green
iso
amyl isovalerate
FL/FR
iso
butyl isovalerate
FL/FR
cyclohexyl ethyl acetate
FL/FR
sulfurous
mango thiol
FL/FR
sweet
orris rhizome absolute (iris germanica)
FL/FR
orris rhizome absolute (iris pallida)
FL/FR
woody
beta-
damascenone
FL/FR
beta-
ionyl acetate
FL/FR
alpha-
irone
FL/FR
orris rhizome oil CO2 extract
FL/FR
 
Potential Uses:
FRberry
FRraspberry
 
Occurrence (nature, food, other):note
 juniper
Search Trop Picture
 
Synonyms:
3-cyclopentene-1-ethanol, 2,2,3-trimethyl-, acetate, (S)-
(S)-trimenal acetate (IFF)
(S)-2,2,3-trimethyl cyclopent-3-ene-1-ethyl acetate
2-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]ethyl acetate
(S)-2,2,3-trimethylcyclopent-3-ene-1-ethyl acetate
 

Articles:

 None found yet.
 
Notes:
Flavouring ingredient. Constit. of Juniperus communis (juniper)
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