| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 5292-21-7 |
| ECHA EC Number: | 226-132-0 |
| FDA UNII: | V43K3TO0HN |
| CoE Number: | 34 |
| Category: | flavor and fragrance agents |
| IUPAC Name: | cyclohexyl acetic acid |
| InChI : | InChI=1/C8H14O2/c9-8(10)6-7-4-2-1-3-5-7/h7H,1-6H2,(H,9,10) |
| Std.InChI: | InChI=1S/C8H14O2/c9-8(10)6-7-4-2-1-3-5-7/h7H,1-6H2,(H,9,10) |
| InChIKey : | LJOODBDWMQKMFB-UHFFFAOYAM |
| Std.InChIKey: | LJOODBDWMQKMFB-UHFFFAOYSA-N |
| SMILES : | C1CCC(CC1)CC(=O)O |
| MDL: | MFCD00001518 |
| Molar Refractivity : | 38.56 ± 0.3 cm3 (est) |
| Parachor : | 346.1 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.468 ± 0.02 (est) |
| Surface Tension : | 38.8 ± 3.0 dyne/cm (est) |
| Density : | 1.025 ± 0.06 g/cm3 (est) |
| Polarizability : | 15.28 ± 0.5 10-24cm3 (est) |
| 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: | 965 cyclohexaneacetic acid |
| DG SANTE Food Flavourings: | 08.034 cyclohexylacetic acid |
| FEMA Number: | 2347 cyclohexaneacetic acid |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 5292-21-7 ; CYCLOHEXANEACETIC ACID |
| FDA Regulation: | |
| FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION Subpart F--Flavoring Agents and Related Substances Sec. 172.515 Synthetic flavoring substances and adjuvants. | |
| Appearance: | colorless crystals (est) |
| Assay: | 98.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.00100 to 1.00900 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 8.329 to 8.396 |
| Refractive Index: | 1.45900 to 1.46700 @ 20.00 °C. |
| Melting Point: | 28.00 to 33.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 242.00 to 243.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 116.00 to 117.00 °C. @ 4.00 mm Hg |
| Vapor Pressure: | 0.029000 mmHg @ 25.00 °C. |
| Flash Point: | 230.00 °F. TCC ( 110.00 °C. ) |
| logP (o/w): | 2.850 |
| Soluble in: | |
| alcohol | |
| water, 753.2 mg/L @ 25 °C (est) | |
| water, 2880 mg/L @ 25 °C (exp) | |
| Insoluble in: | |
| water | |
| None found |
| BOC Sciences |
| For experimental / research use only. |
| Cyclohexylacetic Acid 99% |
| Penta International |
| CYCLOHEXANEACETIC ACID |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| Cyclohexaneacetic Acid |
| Sigma-Aldrich |
| Cyclohexaneacetic acid ≥98% |
| Certified Food Grade Products |
| Synerzine |
| Cyclohexyl Acetic Acid |
| TCI AMERICA |
| For experimental / research use only. |
| Cyclohexylacetic Acid >98.0%(GC)(T) |
| WholeChem |
| Cyclohexaneacetic acid |
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 - Wear suitable clothing, gloves and eye/face protection. | |
| 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: | |
| intravenous-mouse LD50 178 mg/kg U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00770 | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
| Category: | |||
| flavor and fragrance agents | |||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.12 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.40 (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: 3 | |||
| Click here to view publication 3 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 2.00000 | |
| beverages(nonalcoholic): | - | 1.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 2.00000 | |
| fruit ices: | - | 2.00000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 2.00000 | |
| 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: | - | - | |
| 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 primarysaturated 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 |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):5292-21-7 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :21363 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:3 |
| 2-cyclohexylacetic acid |
| Chemidplus:0005292217 |
| RTECS:GU6490000 for cas# 5292-21-7 |
| 2-cyclohexylacetic acid | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 5292-21-7 |
| Pubchem (cid): | 21363 |
| Pubchem (sid): | 134985135 |
| (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 |
| CHEBI: | View |
| HMDB (The Human Metabolome Database): | HMDB31403 |
| FooDB: | FDB003477 |
| Export Tariff Code: | 2916.35.1500 |
| ChemSpider: | View |
| FL | caramel |
| FL | chocolate cocoa |
| FL | coffee |
| FL | honey |
| FL | maple |
| not found in nature |
| cyclohexane acetic acid | |
| cyclohexane-acetic acid | |
| cyclohexaneacetic acid | |
| cyclohexyl ethanoic acid | |
| cyclohexylacetic acid | |
| 2- | cyclohexylacetic acid |
| cyclohexylaceticacid | |
| cyclohexylethanoic acid | |
| hexahydrophenyl acetic acid |
