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beta-caryophyllene oxide
General Material Information
| Preferred name | beta-caryophyllene oxide |
| Trivial Name | Caryophyllene oxide |
| Short Description | [1R-(1R*,4R*,6R*,10S*)]-4,12,12-trimethyl-9-methylene-5-oxatricyclo[8.2.0.04,6]dodecane |
| Formula | C15 H24 O |
| CAS Number | 1139-30-6 |
| Deleted CAS Number | 105120-46-5 |
| FEMA Number | 4085 |
| Flavis Number | 16.043 |
| ECHA Number | 214-519-7 |
| FDA UNII | S2XU9K448U |
| Nikkaji Number | J280.354B |
| Beilstein Number | 0148213 |
| MDL | MFCD00134216 |
| COE Number | 10500 |
| xLogP3-AA | 3.60 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 1575 beta-caryophyllene oxide |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 1139-30-6 ; BETA-CARYOPHYLLENE OXIDE |
| Synonyms |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
Literature & References
| [1R-(1R*,4R*,6R*,10S*)]-4,12,12-trimethyl-9-methylene-5-oxatricyclo[8.2.0.04,6]dodecane | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 1139-30-6 |
| Pubchem (cid): | 14350 |
| Pubchem (sid): | 134981137 |
| Flavornet: | 1139-30-6 |
| Pherobase: | View |
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 |
| KEGG (GenomeNet): | C16908 |
| HMDB (The Human Metabolome Database): | HMDB36789 |
| FooDB: | FDB015732 |
| Export Tariff Code: | 2910.90.5000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 220.35548400879 |
| Optical Rotation | -65 to -75 |
| Melting Point | 60 to 62°C @ 760 mm Hg |
| Vapor Pressure | 0.007 mmHg @ 25 °C |
| Flash Point TCC Value | 100 °C TCC |
| logP (o/w) | 4.429 est |
| Shelf life | 24 months (or longer if stored properly.) |
| Storage notes | Store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Solubility | |
| alcohol | Yes |
| water, 2.21 mg/L @ 25 °C (est) | Yes |
Organoleptic Properties
| Odor Type: Woody | |
| sweet, fresh, dry, woody, spicy | |
| Odor strength | medium |
| Substantivity | 116 hour(s) at 100.00 % |
| Luebke, William tgsc, (1994) | At 100.00 %. sweet fresh dry woody spicy |
| Flavor Type: Woody | |
| dry, woody, cedar, woody old wood, carrot, ambrette, amber | |
| Luebke, William tgsc, (1994) | Dry woody cedar old wood carrot ambrette amber |
| Useful in: mint, savory vegetable, savory spices, fruity citrus, fruity red, fruity tropical, alcoholics. | Dry, woody, cedarwood, carrot |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Agate, Amber, Ambergris, Ambreine, Ambrette oil replacer, Animal, Baby powder, Balsam, Bay rum, Bayberry, Blue grass, Bouquet, Cabreuva wood, Castoreum, Cedar forest, Christmas, Cigar, Citrus, Clean linen, Coriander, Coronilla, Currant black currant, Deertongue absolute replacer, Earth, Fern, Fir balsam, Floral, Fruit, Ginger, Guaiacwood, Habuba, Hay new mown hay, Heather, Herbal, Hollyberry, Hop, Incense, Juniper berry, Labdanum, Leather, Leather russian leather, Maja, Mango, Marjoram, Mint, Moss, Musk, Ocean sea, Oregano, Oriental, Patchouli, Pine forest, Powder, Rain, Sandalwood, Sea breeze, Spice, Spring rain, Sweet grass, Tobacco, Tonka bean, Vanilla, Woodruff, Woody |
| Flavoring purposes | Coriander, Guaiacwood, Marjoram |
| Other purposes | Dry, Fantasy blends, Tweed |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| 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 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing. | |
| 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. | |
| Human Experience: | |
| 4 % solution: no irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 > 5000 mg/kg (Moreno, 1979f) oral-rat LD50 [sex: M] > 5000 mg/kg (Moreno, 1979g) oral-rat LD50 > 5000 mg/kg Food and Chemical Toxicology. Vol. 21, Pg. 661, 1983. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 2000 mg/kg Food and Chemical Toxicology. Vol. 21, Pg. 661, 1983. | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in use information
| 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 | |||
| Recommendation for beta-caryophyllene oxide usage levels up to: | |||
| 6.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 8.00 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.10 (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 1000 (μg/person/day) | ||
| Threshold of Concern: | 90 (μg/person/day) | ||
| Structure Class: | III | ||
| 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: | 3.00000 | 15.00000 | |
| beverages(nonalcoholic): | - | - | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | 2.00000 | 10.00000 | |
| cheese: | 2.00000 | 10.00000 | |
| chewing gum: | - | - | |
| condiments / relishes: | 5.00000 | 25.00000 | |
| confectionery froastings: | - | - | |
| egg products: | 2.00000 | 10.00000 | |
| fats / oils: | 2.00000 | 10.00000 | |
| fish products: | 3.00000 | 15.00000 | |
| frozen dairy: | 5.00000 | 25.00000 | |
| fruit ices: | 1.00000 | 5.00000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | - | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | 3.00000 | 15.00000 | |
| poultry: | - | - | |
| processed fruits: | 1.00000 | 5.00000 | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | 2.00000 | 10.00000 | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
| 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): | 3.00000 | 15.00000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 2.00000 | 10.00000 | |
| Edible ices, including sherbet and sorbet (03.0): | 3.00000 | 15.00000 | |
| Processed fruit (04.1): | 2.00000 | 10.00000 | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - | |
| Confectionery (05.0): | 4.00000 | 20.00000 | |
| Chewing gum (05.3): | - | - | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 2.00000 | 10.00000 | |
| Bakery wares (07.0): | 5.00000 | 25.00000 | |
| Meat and meat products, including poultry and game (08.0): | 1.00000 | 5.00000 | |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 1.00000 | 5.00000 | |
| Eggs and egg products (10.0): | - | - | |
| Sweeteners, including honey (11.0): | - | - | |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 2.00000 | 10.00000 | |
| Foodstuffs intended for particular nutritional uses (13.0): | 3.00000 | 15.00000 | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | - | - | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 4.00000 | 20.00000 | |
| Ready-to-eat savouries (15.0): | 5.00000 | 25.00000 | |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 2.00000 | 10.00000 | |
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 31 (FGE.31) - One Epoxide from Chemical Group 32 [1] - 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 82 (FGE.82)[1] - Consideration of Epoxides evaluated by JECFA (65th meeting) - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food (AFC) View page or View pdf |
| Statement on List of Representative Substances for Testing. The current Statement lays down a list of substances in sub-groups with representative substances for which additional data are required prior to their evaluation through the Procedure (Regulation (EC) No 1565/2000). View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 82, Revision 1 (FGE.82Rev1): Consideration of Epoxides evaluated by the JECFA (65th meeting) View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):1139-30-6 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :14350 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| [1R-(1R*,4R*,6R*,10S*)]-4,12,12-trimethyl-9-methylene-5-oxatricyclo[8.2.0.04,6]dodecane |
| Chemidplus:0001139306 |
| RTECS:RP5530000 for cas# 1139-30-6 |