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(±)-1,2,5,6-tetrahydrocuminic acid
3-cyclohexene-1-carboxylic acid, 4-isopropyl-

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Fragrance Demo Formulas
Flavor Demo Formulas
Name:4-propan-2-ylcyclohex-3-ene-1-carboxylic acid
CAS Number: 71298-42-5Picture of molecule3D/inchi
Other:56424-87-4
FDA UNII:JP3KX91NB0
Nikkaji Web:J1.539.910D
XlogP3-AA:1.90 (est)
Molecular Weight:168.23592000
Formula:C10 H16 O2
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
Racemate (EFFA, 2010a). CASrn in Register does not specify stereoisomeric composition.
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:976 1,2,5,6-tetrahydrocuminic acid
FLAVIS Number:08.067 (Old)
DG SANTE Food Flavourings:08.067 1,2,5,6-tetrahydrocuminic acid
FEMA Number:3731 1,2,5,6-tetrahydrocuminic acid
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):56424-87-4 ; 1,2,5,6-TETRAHYDROCUMINIC ACID
 
Physical Properties:
Appearance:colorless solid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 61.00 °C. @ 760.00 mm Hg
Boiling Point: 275.00 to 276.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.001000 mmHg @ 25.00 °C. (est)
Flash Point: 267.00 °F. TCC ( 130.56 °C. )
logP (o/w): 2.586 (est)
Soluble in:
 alcohol
 water, slightly
 water, 131.8 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: spicy
Odor Strength:medium
animal cumin sweaty
Odor Description:at 100.00 %. animalic cumin sweaty
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Parchem
(±)-1,2,5,6-Tetrahydrocuminic Acid
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
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 > 2500 mg/kg
Study inadequate for derivation of LD50. Also only code name given for substance.
(Levenstein, 1981a)

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (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: -2.50000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: -1.00000
chewing gum: --
condiments / relishes: -5.00000
confectionery froastings: --
egg products: -2.50000
fats / oils: --
fish products: -5.00000
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: -5.00000
hard candy: --
imitation dairy: -0.50000
instant coffee / tea: --
jams / jellies: --
meat products: -5.00000
milk products: --
nut products: --
other grains: --
poultry: -5.00000
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: -200.00000
snack foods: -5.00000
soft candy: --
soups: -2.50000
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):

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 Substance Registry Services (TSCA):71298-42-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :62117
National Institute of Allergy and Infectious Diseases:Data
4-propan-2-ylcyclohex-3-ene-1-carboxylic acid
Chemidplus:0071298425
 
References:
 4-propan-2-ylcyclohex-3-ene-1-carboxylic acid
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:71298-42-5
Pubchem (cid):62117
Pubchem (sid):135019542
 
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
FDA Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):Search
FooDB:FDB016171
ChemSpider:View
 
Potential Blenders and core components note
For Odor
No odor group found for these
satinaldehyde
FL/FR
acidic
acidic
2-
methyl-2-pentenoic acid
FL/FR
animal
costus valerolactone
FR
methyl (E)-2-octenoate
FL/FR
balsamic
hexyl cinnamate
FR
cheesy
valeric acid
FL/FR
iso
valeric acid
FL/FR
floral
cumin carbinol
FR
dihydrocarvyl acetate
FL/FR
lilyall
FR
neryl isovalerate
FL/FR
phenethyl hexanoate
FL/FR
fruity
1,2-
dimethyl butyl 2-butenoate
FR
propyl butyrate
FL/FR
green
cumin acetaldehyde
FL/FR
hexanal (aldehyde C-6)
FL/FR
herbal
celery ketone
FL/FR
celery undecene
FR
2-
cyclohexyl cyclohexanone
FR
daucus carota fruit oil
FL/FR
nonisyl acetate
FR
perillaldehyde
FL/FR
petitgrain heptane
FR
medicinal
summer
savory oil
FL/FR
spicy
(E)-
cinnamyl nitrile
FR
cumin seed absolute
FL/FR
cumin seed oil
FL/FR
cuminaldehyde
FL/FR
cuminyl alcohol
FL/FR
cuminyl nitrile
FR
4-iso
propyl-2-cyclohexenone
FL/FR
waxy
2-
methyl heptanoic acid
FL/FR
woody
cedarwood oil western red
FR
For Flavor
No flavor group found for these
elecampane root oil
FL
(Z)-3-
hexenoic acid
FL
3-
mercapto-3-methyl butyl formate
FL
4-iso
propyl-2-cyclohexenone
FL/FR
acidic
acidic
valeric acid
FL/FR
cheesy
iso
valeric acid
FL/FR
floral
dihydrocarvyl acetate
FL/FR
satinaldehyde
FL/FR
fruity
ethyl 3-oxohexanoate
FL
methyl (E)-2-octenoate
FL/FR
neryl isovalerate
FL/FR
propyl butyrate
FL/FR
green
celery ketone
FL/FR
cumin acetaldehyde
FL/FR
hexanal (aldehyde C-6)
FL/FR
herbal
daucus carota fruit oil
FL/FR
medicinal
summer
savory oil
FL/FR
sour
3-
methyl valeric acid
FL
2-
methyl-2-pentenoic acid
FL/FR
spicy
cumin oleoresin
FL
cumin seed absolute
FL/FR
cumin seed oil
FL/FR
cuminaldehyde
FL/FR
cuminyl alcohol
FL/FR
perillaldehyde
FL/FR
winter
savory oil
FL
waxy
2-
methyl heptanoic acid
FL/FR
phenethyl hexanoate
FL/FR
 
Potential Uses:
FRcostus
FRcumin oil replacer
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
3-cyclohexene-1-carboxylic acid, 4-(1-methylethyl)-
3-cyclohexene-1-carboxylic acid, 4-isopropyl-
(±)-4-1-methyl ethyl-3-cyclohexene-1-carboxylic acid
(±)-4-(1-methyl ethyl)-3-cyclohexene-1-carboxylic acid
(±)-4-1-methylethyl-3-cyclohexene-1-carboxylic acid
(±)-4-(1-methylethyl)-3-cyclohexene-1-carboxylic acid
4-(1-methylethyl)-3-cyclohexene-1-carboxylic acid
(±)-4-propan-2-yl cyclohex-3-ene-1-carboxylic acid
4-propan-2-ylcyclohex-3-ene-1-carboxylic acid
isopropyl cyclohexene carboxylic acid
(±)-4-isopropyl-3-cyclohexene-1-carboxylic acid
4-isopropyl-3-cyclohexene-1-carboxylic acid
isopropylcyclohexenecarboxylic acid
(±)-1,2,5,6-tetrahydrocuminic acid
1,2,5,6-tetrahydrocuminic acid
 
 
Notes:
Used as a food additive [EAFUS]
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