Articles:
Notes:
Cinnamyl alcohol removes the sharpness. contains mainly isobornyl acetate. Flavour and fragrance ingredient [CCD]
| Fragrance Demo Formulas Flavor Demo Formulas | ||
| Name: | [(1R,4S,6R)-1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl] acetate | |
| CAS Number: | 125-12-2 |  3D/inchi
|
| Other: | 17283-45-3 | |
| ECHA EINECS - REACH Pre-Reg: | 204-727-6 | |
| FDA UNII: | 54T6CCU09Z | |
| MDL: | MFCD00135943 | |
| FEMA Number: | 2160 | |
| CoE Number: | 2066 | |
| XlogP3: | 3.30 (est) | |
| Molecular Weight: | 196.28980000 | |
| Formula: | C12 H20 O2 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| EFSA/JECFA Comments: | Racemate (±) = DL-Isobornyl acetate (EFFA, 2010a). CASrn in Register refers to (1R,2R,4R)-rel. Register name to be changed to DL-Isobornyl acetate (EFFA, 2011m). According to JECFA "Min. Assay value may include small amounts of bornyl acetate". | |
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: | 1388 isobornyl acetate |
| Flavis Number: | 09.218 (Old) |
| DG SANTE Food Flavourings: | 09.218 DL-isobornyl acetate |
| FEMA Number: | 2160 isobornyl acetate |
| FDA Mainterm: | ISOBORNYL ACETATE |
| 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. | |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 97.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.98000 to 0.98600 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 8.155 to 8.205 |
| Specific Gravity: | 0.98100 to 0.98700 @ 20.00 °C. |
| Pounds per Gallon - est.: | 8.172 to 8.222 |
| Refractive Index: | 1.46100 to 1.46500 @ 20.00 °C. |
| Optical Rotation: | -4.00 to +0.90 |
| Boiling Point: | 227.00 to 231.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 102.00 to 103.00 °C. @ 13.00 mm Hg |
| Acid Value: | 1.00 max. KOH/g |
| Vapor Pressure: | 0.025000 mmHg @ 20.00 °C. |
| Vapor Density: | 6.8 ( Air = 1 ) |
| Flash Point: | 190.00 °F. TCC ( 87.78 °C. ) |
| logP (o/w): | 3.600 |
| Shelf Life: | 24.00 month(s) or longer if stored properly. |
| Storage: | store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Soluble in: | |
| alcohol | |
| fixed oils | |
| kerosene | |
| paraffin oil | |
| water, 9.721 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| glycerin | |
| Stability: | |
| bath foam | |
| cream | |
| detergent | |
| non-discoloring in most media | |
| soap | |
Organoleptic Properties:
| Odor Type: | balsamic |
| Odor Strength: | medium |
| Odor Description: at 100.00 %. | balsam camphor herbal woody sweet |
| Substantivity: | 8 hour(s) at 100.00 % |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
masking agents perfuming agents |
Safety Information:
| Most important hazard(s): | |
| Xi - Irritant | |
|
R 38 - Irritating to skin. S 02 - Keep out of the reach of children. S 24 - Avoid contact with skin. S 28 - After contact with skin, wash immediately with plenty of water. | |
| Human Experience: | 10 % solution: non-sensitising. |
| Oral/Parenteral Toxicity: | |
|
oral-rat LD50 [sex: M] > 10000 mg/kg (Fogleman & Margolin, 1970) oral-mouse LD50 3100 mg/kg LIVER: OTHER CHANGES BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BLOOD: HEMORRHAGE Toksikologicheskii Vestnik. Vol. (3), Pg. 34, 2000. oral-rat LD50 9050 mg/kg LIVER: OTHER CHANGES BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BLOOD: HEMORRHAGE Toksikologicheskii Vestnik. Vol. (3), Pg. 34, 2000. | |
| Dermal Toxicity: | |
|
skin-rabbit LD50 > 20000 mg/kg Toksikologicheskii Vestnik. Vol. (3), Pg. 34, 2000. | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | flavor and fragrance agents | ||
| Recommendation for isobornyl acetate usage levels up to: | |||
| 30.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 890.00 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 236.00 (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: | - | 9.50000 | |
| beverages(nonalcoholic): | - | 9.60000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 12.00000 | |
| fruit ices: | - | 12.00000 | |
| gelatins / puddings: | - | 70.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 3.90000 | |
| 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: | - | 70.00000 | |
| soups: | - | - | |
| 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): | |
| Flavouring Group Evaluation 47, (FGE.47)[1] - Bicyclic secondary alcohols, ketones and related esters from chemical group 8 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf | |
| Flavouring Group Evaluation 87, (FGE.87)[1] - Consideration of bicyclic secondary alcohols, ketones and related esters evaluated by JECFA (63rd meeting) structurally related to bicyclic secondary alcohols, ketones and related esters evaluated by EFSA in FGE.47 (2008) - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 87 Revision 1 (FGE.87Rev1): Consideration of bicyclic secondary alcohols, ketones and related esters evaluated by JECFA (63rd meeting) structurally related to bicyclic secondary alcohols, ketones and related esters evaluated by EFSA in FGE.47 (2008) View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 87, Revision 2 (FGE.87Rev2): Consideration of bicyclic secondary alcohols, ketones and related esters evaluated by JECFA (63rd meeting) structurally related to bicyclic secondary alcohols, ketones and related esters evaluated by EFSA in FGE.47Rev1 (2008) View page or View pdf | |
| Safety and efficacy of secondary alicyclic saturated and unsaturated alcohols, ketones, ketals and esters with ketals containing alicyclic alcohols or ketones and esters containing secondary alicyclic alcohols from chemical group 8 when used as flavourings for all animal species View page or View pdf | |
| EPI System: | View |
| NLM Developmental and Reproductive Toxicity: | Search |
| EPA Substance Registry Services (TSCA): | 125-12-2 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 61061 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 1 |
| [(1R,4S,6R)-1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl] acetate | |
| Chemidplus: | 0000125122 |
| RTECS: | NP7350000 for cas# 125-12-2 |
References:
| [(1R,4S,6R)-1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl] acetate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 125-12-2 |
| Pubchem (cid): | 61061 |
| Pubchem (sid): | 135019004 |
| Pherobase: | View |
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 Everything Added to Food in the United States (EAFUS): | View |
| HMDB (The Human Metabolome Database): | Search |
| FooDB: | FDB012445 |
| Export Tariff Code: | 2915.39.9000 |
| Household Products: | Search |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| alpine bouquet | FR | |
| amber | FR | |
| balsam | FR | |
| bayberry | FR | |
| bouquet | FR | |
| cardamom oil replacer | FR | |
| cedar | FR | |
| christmas | FR | |
| clean | ||
| currant black currant | FR | |
| eucalyptus oil replacer | FR | |
| evergreen | FR | |
| fir balsam | FR | |
| fir needle oil replacer | FR | |
| fresh and clean | FR | |
| herbal | FR | |
| juniper berry | FR | |
| lavender | FR | |
| leather | FR | |
| mango | FR | |
| marjoram | FL/FR | |
| mint | FR | |
| oriental | FR | |
| pennyroyal | FL/FR | |
| pine | FR | |
| pine forest | FR | |
| pineapple | FR | |
| potpourri | FR | |
| raspberry | FR | |
| rosemary | FR | |
| sassafras | FR | |
| soapy sandalwood moss | FR | |
| spearmint | FR | |
| spice | FR | |
| spruce | FR | |
| sweet grass | FR | |
| woody | FR |
Occurrence (nature, food, other): note
| apple custard apple Search PMC Picture | |
| bombycilaena erecta oil greece @ 0.70% Data GC Search Trop Picture | |
| cheese parmesan cheese Search PMC Picture | |
| cypress oil @ trace% Data GC Search Trop Picture | |
| dill herb Search Trop Picture | |
| eucalyptus urophylla s.t. blake leaf oil ethiopia @ 0.20% Data GC Search Trop Picture | |
| ginger root oil CO2 extract australia @ 0.10% Data GC Search Trop Picture | |
| mayur pankh fruit oil himalaya @ 0.20% Data GC Search Trop Picture | |
| rosemary oil CO2 extract @ 4.94% Data GC Search Trop Picture | |
| rosemary plant Search Trop Picture | |
| rosemary shoot Search Trop Picture | |
| sage oil Search Trop Picture | |
| sage shoot Search Trop Picture | |
| spearmint leaf Search Trop Picture | |
| tagete flower oil rwanda @ trace% Data GC Search Trop Picture | |
| tagete oil rwanda @ trace% Data GC Search Trop Picture | |
| thyme Search Picture | |
| thyme oil spain @ 1.04% Data GC Search Trop Picture | |
| thyme oil spain @ 1.17% Data GC Search Trop Picture | |
| valerian root oil china @ 0.61% Data GC Search Trop Picture | |
| walnut black walnut oil Search Trop Picture | |
| wormseed oil spain @ 0.20% Data GC Search Trop Picture |
Synonyms:
| acetic acid isobornyl ester | |
| acetic acid, isobornyl ester | |
| bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, acetate, (1R,2R,4R)-rel- | |
| bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, acetate, exo- | |
| iso | borneol acetate |
| iso | borneol, acetate |
| DL-iso | bornyl acetate |
| exo-2- | bornyl acetate |
| iso- | bornyl acetate |
| iso | bornyl acetate FCC |
| iso | bornyl acetate natural |
| 2- | bornyl acetate, exo- |
| iso | bornyl ethanoate |
| exo-2- | camphanyl acetate |
| 2- | camphanyl acetate, exo- |
| pichtosin | |
| pichtosine | |
| exo-1,7,7- | trimethyl bicyclo(2.2.1)hept-2-yl ethanoate |
| (1R,2R,4R)-rel-1,7,7- | trimethyl bicyclo(2.2.1)heptan-2-ol acetate |
| exo-1,7,7- | trimethyl bicyclo(2.2.1)heptan-2-ol acetate |
| [(1R,4S,6R)-1,7,7- | trimethyl-6-bicyclo[2.2.1]heptanyl] acetate |
| exo-1,7,7- | trimethylbicyclo(2.2.1)hept-2-yl acetate |
| 1,7,7- | trimethylbicyclo(2.2.1)heptan-2-yl acetate, exo- |