EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

isopulegyl acetate
1R,2S,5R-isopulegol acetate

Sponsors

Name:(5-methyl-2-prop-1-en-2-ylcyclohexyl) acetate
CAS Number: 57576-09-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:260-820-1
FDA UNII:R3C4VQ5WQM
Nikkaji Web:J22.835D
CoE Number:2067
XlogP3-AA:3.50 (est)
Molecular Weight:196.28980000
Formula:C12 H20 O2
NMR Predictor:Predict (works with chrome or firefox)
Name:[(1R,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl] acetate
CAS Number: 57576-09-7 (RSR)Picture of molecule3D/inchi
XlogP3-AA:3.50 (est)
Molecular Weight:196.28980000
Formula:C12 H20 O2
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
Register name to be change to 1R,2S,5R-isopulegyl acetate. According to the JECFA: Min. assay value is "95 % (total of isomers)". Composition of mixture not specified.
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
PubMed:Search
NCBI:Search
JECFA Food Flavoring:756 isopulegyl acetate
FLAVIS Number:09.219 (Old)
DG SANTE Food Flavourings:09.219 1R,2S,5R-isopulegol acetate
FEMA Number:2965 isopulegyl acetate
FDA:No longer provide for the use of these seven synthetic flavoring substances
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.92900 to 0.93600 @ 25.00 °C.
Pounds per Gallon - (est).: 7.730 to 7.788
Refractive Index:1.45400 to 1.45700 @ 20.00 °C.
Melting Point: 85.00 °C. @ 760.00 mm Hg
Boiling Point: 104.00 to 105.00 °C. @ 10.00 mm Hg
Boiling Point: 112.00 to 114.00 °C. @ 8.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure:0.025000 mm/Hg @ 25.00 °C. (est)
Flash Point: 186.00 °F. TCC ( 85.56 °C. )
logP (o/w): 4.246 (est)
Soluble in:
 alcohol
 water, slightly
 water, 8.307 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: mentholic
Odor Strength:medium
Substantivity:24 hour(s) at 100.00 %
woody sweet peppermint tropical
Odor Description:at 100.00 %. woody sweet peppermint tropical
Luebke, William tgsc, (1985)
Odor sample from: Givaudan Corporation
woody sweet camphoreous cooling medicinal seedy berry
Odor Description:Woody, sweet, camphoreous, cooling and medicinal with a seedy berry undernote
Mosciano, Gerard P&F 19, No. 6, 53, (1994)
Flavor Type: woody
woody berry green camphoreous fruity
Taste Description: at 10.00 ppm. Woody, berry, green and camphoreous with a fruity nuance
Mosciano, Gerard P&F 19, No. 6, 53, (1994)
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
BOC Sciences
For experimental / research use only.
isoPulegyl Acetate
Citrus and Allied Essences
isoPulegyl Acetate
Market Report
OQEMA
isoPulegyl Acetate
Penta International
ISOPULEGYL ACETATE, Kosher
Penta International
ISOPULEGYL ACETATE, NATURAL, Kosher
Reincke & Fichtner
isoPulegyl Acetate natural
Vigon International
Isopulegol Acetate
Odor: SWEET, MINTY
 
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.
Human Experience:
8 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for isopulegyl acetate usage levels up to:
  8.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.12 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 1.10 (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: 3
 average usual ppmaverage maximum ppm
baked goods: -19.00000
beverages(nonalcoholic): -5.80000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -22.00000
fruit ices: -22.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -19.00000
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: --
soups: --
sugar substitutes: --
sweet sauces: --
 
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):

Flavouring Group Evaluation 57 (FGE.57)[1]: Consideration of two structurally related pulegone metabolites and one ester thereof evaluated by JECFA (55th meeting)
View page or View pdf

Statement on List of Representative Substances for Testing. The current Statement lays down a list of substances in sub-groups with representative substances for which additional data are required prior to their evaluation through the Procedure (Regulation (EC) No 1565/2000).
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 57, Revision 1 (FGE.57Rev1): consideration of isopulegone and three flavouring substances evaluated by JECFA (55th meeting)
View page or View pdf

EPI System: View
EPA Substance Registry Services (TSCA):57576-09-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :494311
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
(5-methyl-2-prop-1-en-2-ylcyclohexyl) acetate
Chemidplus:0057576097
[(1R,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl] acetate
 
References:
 (5-methyl-2-prop-1-en-2-ylcyclohexyl) acetate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:57576-09-7
Pubchem (cid):494311
Pubchem (sid):135264106
Pherobase:View
 [(1R,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl] acetate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:57576-09-7
Pubchem (cid):94579
Pubchem (sid):671690
 
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
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
amber
amber naphthofuran
FL/FR
balsamic
laevo-
borneol
FL/FR
dextro,laevo-
borneol
FL/FR
iso
bornyl methyl ether
FL/FR
iso
bornyl propionate
FL/FR
brachyleana hutchinsii wood oil
FR
dextro-
fenchone
FL/FR
valerian rhizome absolute
FL/FR
camphoreous
beta-homo
cyclocitral
FL/FR
eucalyptus polybractea oil
FR
chemical
styralyl alcohol
FL/FR
citrus
ocimene quintoxide
FL/FR
earthy
(Z)-
linalool oxide (furanoid)
FL/FR
floral
beta-
ionol
FL/FR
beta-
ionone
FL/FR
lavender oil
FL/FR
2-
methyl naphthalene
FL/FR
bitter
orangeflower concrete morocco
FR
orris rhizome absolute (iris germanica)
FL/FR
orris rhizome absolute (iris pallida)
FL/FR
orris rhizome oil (iris germanica)
FL/FR
fruity
berry pentadienoate
FL/FR
cherry pentenoate
FL/FR
cherry propanol
FL/FR
cyclohexyl carboxylic acid
FL/FR
(R)-gamma-
dodecalactone
FL/FR
ethyl benzoyl acetate
FL/FR
menthyl isovalerate
FL/FR
tetrahydrofurfuryl butyrate
FL/FR
green
iso
green methanoindene
FR
rose leaf absolute (rosa centifolia)
FL/FR
styralyl acetate
FL/FR
herbal
1-
allyl-2,2,7,7-tetramethyl cycloheptanol
FR
barosma betulina leaf oil
FL/FR
chamomile oil morocco
FR
delta-
elemene
FL/FR
herbal dioxane
FR
lavandin concrete
FL/FR
melaleuca quinquenervia water
FR
methyl cyclogeranate (Firmenich)
FR
myrtenol
FL/FR
origanum oil
FL/FR
origanum oil greece
FL/FR
pinocarveol
FL/FR
rosemary absolute
FL/FR
rosemary oil morocco
FL/FR
rosemary oil spain
FL/FR
safranal
FL/FR
tea leaf absolute
FL/FR
medicinal
meta-
dimethyl hydroquinone
FL/FR
mentholic
cornmint oil terpeneless
FL/FR
dextro,laevo-
menthol
FL/FR
laevo-
menthol
FL/FR
peppermint cyclohexanone
FL/FR
dextro-
piperitone
FL/FR
minty
(-)-
menthone
FL/FR
laevo-
menthyl lactate
FL/FR
pennyroyal oil
FL/FR
peppermint oil idaho
FL/FR
peppermint oil terpeneless
FL/FR
iso
pulegol
FL/FR
(-)-iso
pulegol
FL/FR
iso
pulegone
FL/FR
(R)-(+)-
pulegone
FR
musk
acetyl ethyl tetramethyl tetralin replacer
FR
musk decanolide
FR
musty
ketoiso
phorone
FL/FR
opoponax
opoponax resinoid replacer
FR
powdery
(E)-alpha-
methyl ionone (74-80%)
FL/FR
spicy
iso
butyl angelate
FL/FR
carvacrol
FL/FR
2,5-
dimethyl bicyclo(3.2.1)-2-octen-3-yl acetate + 1,4-dimethyl bicyclo(3.2.1)-2-octen-3-yl acetate
FR
ginger root absolute
FL/FR
grains of paradise oil
FL/FR
methyl heptadienone
FL/FR
origanum majorana oil CO2 extract
FL/FR
thujonic
cedarleaf oil terpeneless
FR
waxy
orris rhizome oil CO2 extract
FL/FR
woody
agarwood oil (aetoxylon sympetalum)
FR
2-tert-
butyl cyclohexanone
FR
cabreuva wood oil
FR
guaiacwood oil 20% in gurjun balsam oil
FR
gurjun balsam oil
FR
hinoki root oil
FR
homalomena rubescens root oil
FR
sandalwood oil CO2 extract
FL/FR
spikenard oil CO2 extract
FL/FR
For Flavor
No flavor group found for these
dextro,laevo-
borneol
FL/FR
iso
bornyl methyl ether
FL/FR
(R)-gamma-
dodecalactone
FL/FR
delta-
elemene
FL/FR
grains of paradise oil
FL/FR
(Z)-
linalool oxide (furanoid)
FL/FR
iso
pulegone
FL/FR
spikenard oil CO2 extract
FL/FR
amber
amber
amber naphthofuran
FL/FR
balsamic
iso
bornyl propionate
FL/FR
camphoreous
laevo-
borneol
FL/FR
pinocarveol
FL/FR
chemical
meta-
dimethyl hydroquinone
FL/FR
styralyl alcohol
FL/FR
citrus
ketoiso
phorone
FL/FR
cooling
beta-homo
cyclocitral
FL/FR
dextro-
fenchone
FL/FR
laevo-
menthol
FL/FR
dextro,laevo-
menthol
FL/FR
laevo-
menthyl lactate
FL/FR
floral
beta-
ionol
FL/FR
(E)-alpha-
methyl ionone (74-80%)
FL/FR
orris rhizome oil (iris germanica)
FL/FR
fruity
berry pentadienoate
FL/FR
cherry pentenoate
FL/FR
cherry propanol
FL/FR
cyclohexyl carboxylic acid
FL/FR
ethyl benzoyl acetate
FL/FR
menthyl isovalerate
FL/FR
styralyl acetate
FL/FR
tetrahydrofurfuryl butyrate
FL/FR
valerian rhizome absolute
FL/FR
green
iso
butyl angelate
FL/FR
methyl heptadienone
FL/FR
ocimene quintoxide
FL/FR
iso
phorone
FL
rose leaf absolute (rosa centifolia)
FL/FR
herbal
barosma betulina leaf oil
FL/FR
lavandin concrete
FL/FR
lavender oil
FL/FR
origanum majorana oil CO2 extract
FL/FR
origanum oil
FL/FR
origanum oil greece
FL/FR
rosemary absolute
FL/FR
rosemary oil morocco
FL/FR
rosemary oil spain
FL/FR
mentholic
cornmint oil terpeneless
FL/FR
peppermint cyclohexanone
FL/FR
minty
(-)-
menthone
FL/FR
(1R)-(-)-
myrtenal
FL
myrtenol
FL/FR
pennyroyal oil
FL/FR
peppermint oil idaho
FL/FR
peppermint oil terpeneless
FL/FR
dextro-
piperitone
FL/FR
iso
pulegol
FL/FR
(-)-iso
pulegol
FL/FR
oily
2-
methyl naphthalene
FL/FR
smoky
dextro-
xylose
FL
spicy
carvacrol
FL/FR
ginger root absolute
FL/FR
sweet
orris rhizome absolute (iris germanica)
FL/FR
orris rhizome absolute (iris pallida)
FL/FR
tea
tea leaf absolute
FL/FR
woody
beta-
ionone
FL/FR
orris rhizome oil CO2 extract
FL/FR
safranal
FL/FR
sandalwood oil CO2 extract
FL/FR
 
Potential Uses:
FRberry
FRgreen
FRlavender
FRmint
FRpeppermint
FRraspberry
FRrose
FRspearmint
 
Occurrence (nature, food, other):note
 mayur pankh fruit oil himalaya @ 0.10%
Data GC Search Trop Picture
 pennyroyal
Search Trop Picture
 wormseed oil spain @ 0.08%
Data GC Search Trop Picture
 
Synonyms:
p-menth-8-en-3-yl acetate
para-menth-8-en-3-yl acetate
(1R,2S,5R)-5-methyl-2-(1-methyl ethenyl) cyclohexanol acetate
(1theta- (1alpha,2beta,5alpha))-5-methyl-2-(1-methyl ethenyl) cyclohexanol acetate
(1R,2S,5R)-5-methyl-2-(1-methylethenyl)cyclohexanol acetate
(1theta- (1alpha,2beta,5alpha))-5-methyl-2-(1-methylethenyl)cyclohexanol acetate
5-methyl-2-(1-methylvinyl)cyclohexyl acetate
(1R,2R,5R)-5-methyl-2-prop-1-en-2-yl cyclohexyl acetate
(1R,2R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl acetate
(5-methyl-2-prop-1-en-2-ylcyclohexyl) acetate
1-methyl-4-isopropenyl cyclohexan-3-yl acetate
1-methyl-4-isopropenylcyclohexan-3-yl acetate
2-isopropenyl-5-methylcyclohexyl acetate
1R,2S,5R-isopulegol acetate
isopulegol acetate
isopulegyl acetate natural
 
 
Notes:
None found
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