Articles:
Notes:
Isol. from Blumea balsamifera, Jasonia sp., Salvia fruticosa, carrot, rosemary, sage and lavender oil. Flavouring agent [CCD]
| Fragrance Demo Formulas Flavor Demo Formulas | ||
| Name: | [(1S,4S,6R)-1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl] acetate | |
| CAS Number: | 5655-61-8 |  3D/inchi
|
| Other: | 6626-35-3 | |
| ECHA EINECS - REACH Pre-Reg: | 227-101-4 | |
| FDA UNII: | 24QAP1VCUX | |
| Nikkaji Web: | J108.584K | |
| Beilstein Number: | 2502036 | |
| MDL: | MFCD00135942 | |
| FEMA Number: | 4080 | |
| CoE Number: | 207 | |
| XlogP3: | 3.30 (est) | |
| Molecular Weight: | 196.28980000 | |
| Formula: | C12 H20 O2 | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| EFSA/JECFA Comments: | Name to be changed to (-)-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 |
| Flavis Number: | 09.848 (Old) |
| DG SANTE Food Flavourings: | 09.848 (-)-bornyl acetate |
| FEMA Number: | 4080 L-bornyl acetate |
| FDA Mainterm: | L-BORNYL ACETATE |
Physical Properties:
| Appearance: | colorless or white clear liquid to crystals (est) |
| Assay: | 97.00 to 100.00 % sum of isomers |
| Food Chemicals Codex Listed: | Yes |
| Specific Gravity: | 0.98100 to 0.98500 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 8.163 to 8.196 |
| Refractive Index: | 1.46200 to 1.46600 @ 20.00 °C. |
| Optical Rotation: | -35.50 to -39.00 |
| Melting Point: | 27.00 to 29.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 103.00 °C. @ 14.00 mm Hg |
| Boiling Point: | 223.00 to 224.00 °C. @ 760.00 mm Hg |
| Acid Value: | 1.00 max. KOH/g |
| Vapor Pressure: | 0.600000 mmHg @ 20.00 °C. |
| Flash Point: | 184.00 °F. TCC ( 84.44 °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 | |
| water, 9.721 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| glycerin | |
| propylene glycol | |
| water | |
Organoleptic Properties:
| Odor Type: | balsamic |
| Odor Strength: | medium |
| Odor Description: at 100.00 %. | sweet balsamic woody fresh pine needle herbal |
| Substantivity: | 24 Hour(s) |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Safety 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 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing. | |
| Human Experience: | 2 % 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 laevo-bornyl acetate usage levels up to: | |||
| 12.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.011 (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 2300 (μg/person/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: 22 | |||
| Click here to view publication 22 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 10.00000 | 50.00000 | |
| beverages(nonalcoholic): | - | - | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | 5.00000 | 25.00000 | |
| cheese: | 7.00000 | 35.00000 | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | 10.00000 | 50.00000 | |
| egg products: | - | - | |
| fats / oils: | 5.00000 | 25.00000 | |
| fish products: | 2.00000 | 10.00000 | |
| frozen dairy: | 7.00000 | 35.00000 | |
| fruit ices: | 10.00000 | 50.00000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 20.00000 | 100.00000 | |
| imitation dairy: | 7.00000 | 35.00000 | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | 5.00000 | 25.00000 | |
| milk products: | 7.00000 | 35.00000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | 2.00000 | 10.00000 | |
| processed fruits: | 7.00000 | 35.00000 | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | 5.00000 | 25.00000 | |
| snack foods: | - | - | |
| soft candy: | 20.00000 | 100.00000 | |
| soups: | 5.00000 | 25.00000 | |
| sugar substitutes: | - | - | |
| sweet sauces: | 5.00000 | 25.00000 | |
| Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i). | |||
| Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm. | |||
| average usage mg/kg | maximum usage mg/kg | ||
| Dairy products, excluding products of category 02.0 (01.0): | 7.00000 | 35.00000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 5.00000 | 25.00000 | |
| Edible ices, including sherbet and sorbet (03.0): | 10.00000 | 50.00000 | |
| Processed fruit (04.1): | 7.00000 | 35.00000 | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - | |
| Confectionery (05.0): | 10.00000 | 50.00000 | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 5.00000 | 25.00000 | |
| Bakery wares (07.0): | 10.00000 | 50.00000 | |
| Meat and meat products, including poultry and game (08.0): | 2.00000 | 10.00000 | |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 2.00000 | 10.00000 | |
| Eggs and egg products (10.0): | - | - | |
| Sweeteners, including honey (11.0): | - | - | |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 5.00000 | 25.00000 | |
| Foodstuffs intended for particular nutritional uses (13.0): | 10.00000 | 50.00000 | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | - | - | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 10.00000 | 50.00000 | |
| Ready-to-eat savouries (15.0): | 20.00000 | 100.00000 | |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 5.00000 | 25.00000 | |
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 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 47, Revision 1 (FGE.47Rev1): Bi- and tricyclic secondary alcohols, ketones and related esters from chemical group 8 View page or View pdf | |
| EPI System: | View |
| EPA Substance Registry Services (TSCA): | 5655-61-8 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 93009 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 1 |
| [(1S,4S,6R)-1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl] acetate | |
| Chemidplus: | 0005655618 |
References:
| [(1S,4S,6R)-1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl] acetate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 5655-61-8 |
| Pubchem (cid): | 93009 |
| Pubchem (sid): | 135051191 |
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 |
| CHEBI: | View |
| CHEMBL: | View |
| KEGG (GenomeNet): | C09837 |
| HMDB (The Human Metabolome Database): | HMDB40397 |
| FooDB: | FDB020129 |
| Export Tariff Code: | 2915.39.4550 |
| 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 | |
| cardamom oil replacer | FR | |
| cedar | FR | |
| christmas | FR | |
| chrysanthemum | FR | |
| clean | ||
| coriander | FL/FR | |
| currant black currant | FR | |
| eucalyptus oil replacer | FR | |
| evergreen | FR | |
| fern | FR | |
| fir | ||
| 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 | |
| thyme oil white replacer | FR | |
| valerian | FL/FR | |
| woody | FR |
Occurrence (nature, food, other): note
| carrot Search Trop Picture | |
| coriander Search Trop Picture | |
| lavender spike lavender Search Trop Picture | |
| pine needle Search PMC Picture | |
| rosemary Search Trop Picture | |
| sage Search Trop Picture | |
| valerian root Search Trop Picture |
Synonyms:
| bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, acetate, (1S,2R,4S)- | |
| bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, acetate, endo- | |
| bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, (1S-endo)- | |
| bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, (1S,2R,4S)- | |
| bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, endo- | |
| L- | born-2-yl acetate |
| laevo- | born-2-yl acetate |
| borneol, acetate, (1S,2R,4S)-(-)- | |
| (-)- | bornyl acetate |
| L- | bornyl acetate |
| L-(-)- | bornyl acetate |
| laevo- | bornyl acetate FCC |
| bornyl acetate laevo | |
| L- | bornyl ethanoate |
| laevo- | bornyl ethanoate |
| (-)-2- | camphanyl acetate |
| pine needle oil siberian terpeneless | |
| siberian pine needle oil terpeneless | |
| terpeneless siberian pine needle oil | |
| endo-(1S)-1,7,7- | trimethyl bicyclo(2.2.1)hept-2-yl acetate |
| (1S,2R,4S)-1,7,7- | trimethyl bicyclo(2.2.1)heptan-2-ol acetate |
| [(1S,4S,6R)-1,7,7- | trimethyl-6-bicyclo[2.2.1]heptanyl] acetate |
| endo-1,7,7- | trimethylbicyclo(2.2.1)hept-2-yl acetate |
| (1S,2R,4S)-1,7,7- | trimethylbicyclo[2.2.1]hept-2-yl acetate |
| endo-(1S)-1,7,7- | trimethylbicyclo[2.2.1]hept-2-yl acetate |
| endo-1,7,7- | trimethylbicyclo[2.2.1]hept-2-yl acetate |