Articles:
| US Patents: | 4,606,925 - Flavoring with alkyl-substituted cyclohexyl and cyclohexenyl carboxylic acids |
3-cyclohexene-1-carboxylic acid, 4-isopropyl-
Notes:
Used as a food additive [EAFUS]
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Chemical sources Association Inc Exchange of knowledge Need This Item for Flavor? You can contact the Chemical Sources Association. Events Links Product(s):
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| Fragrance Demo Formulas Flavor Demo Formulas | ||
| CAS Number: | 71298-42-5 |  3D/inchi
|
| Other(deleted CASRN): | 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 |
| 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 CSA |
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 | ||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.012 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | ND (μg/capita/day) | ||
| Threshold of Concern: | 1800 (μg/person/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 | |||
| Click here to view publication 13 | |||
| average usual ppm | average 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:
| Flavor & Extract Manufacturers Association (FEMA) reference(s): | |
| The FEMA GRAS assessment of alicyclic substances used as flavor ingredients. View pdf | |
| 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 | |
| Scientific Opinion on Flavouring Group Evaluation 73, Revision 5 (FGE.73Rev5): consideration of alicyclic alcohols, aldehydes, acids and related esters evaluated by JECFA (59th, 63rd and 86th meeting) and structurally related to substances evaluated 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 2011 (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
Potential Uses:
| costus | FR | |
| cumin oil replacer | FR |
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 |
| iso | propyl cyclohexene carboxylic acid |
| (±)-4-iso | propyl-3-cyclohexene-1-carboxylic acid |
| 4-iso | propyl-3-cyclohexene-1-carboxylic acid |
| iso | propylcyclohexenecarboxylic acid |
| (±)-1,2,5,6- | tetrahydrocuminic acid |
| 1,2,5,6- | tetrahydrocuminic acid |