| Preferred name | valencene |
| Trivial Name | 4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene |
| Short Description | (1R,7R,8aS)- 1,2,3,5,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methyl ethenyl) naphthalene |
| Formula | C15 H24 |
| CAS Number | 4630-07-3 |
| CAS Number | 4630-07-3 (RSR) |
| CAS Number | 4630-07-3 (R) |
| FEMA Number | 3443 |
| Flavis Number | 1.017 |
| ECHA Number | 225-047-6 |
| FDA UNII | 96H21P91IG |
| Nikkaji Number | J2.381.034D |
| Beilstein Number | 3539153 |
| MDL | MFCD00075884 |
| COE Number | 11030 |
| xLogP3-AA | 5.20 (est) |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 1337 valencene |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 4630-07-3 ; VALENCENE |
| Synonyms |
|
| 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 |
| 4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 4630-07-3 |
| Pubchem (cid): | 288227 |
| Pubchem (sid): | 10523450 |
| Flavornet: | 4630-07-3 |
| Pherobase: | View |
| (3R,4aR,5R)-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 4630-07-3 |
| Pubchem (cid): | 11160025 |
| Pubchem (sid): | 42214795 |
| (2R)-8,8,8a-trimethyl-2-prop-1-en-2-yl-1,2,3,4,6,7-hexahydronaphthalene | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 4630-07-3 |
| Pubchem (cid): | 5315156 |
| Pubchem (sid): | 39344738 |
| (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): | C17277 |
| HMDB (The Human Metabolome Database): | HMDB35688 |
| FooDB: | FDB014405 |
| Export Tariff Code: | 2902.19.0000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
| Material listed in food chemical codex | No |
| Molecular weight | 204.35627746582 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.572 to 7.672 |
| Refractive Index | 1.498 to 1.51 @ 20 °C |
| Vapor Pressure | 0.011 mmHg @ 25 °C |
| Flash Point TCC Value | 100 °C TCC |
| logP (o/w) | 6.494 est |
| Solubility | |
| alcohol | Yes |
| water, 0.05011 mg/L @ 25 °C (est) | Yes |
| water | No |
| Odor Type: Citrus | |
| sweet, fresh, citrus, grapefruit, woody, orange, dry, green, oily | |
| Odor strength | medium , recommend smelling in a 10.00 % solution or less |
| Substantivity | 336 hour(s) at 100.00 % |
| Luebke, William tgsc, (1996) | At 10.00 % in dipropylene glycol. sweet fresh citrus grapefruit woody orange asprin dry green oily |
| Flavor Type: Citrus | |
| orange, citrus, fruity, juicy, citrus peel, peely, woody | |
| Luebke, William tgsc, (1996) | Orange citrus fruity juicy citrus peel peely woody |
| Excellent fresh orange character for all type of citrus flavors as well as tropical flavors such as mango. | Characteristic juicy orange, slightly woody backnotes |
| General comment | Orange, citrusy, warm and woody |
| Natural Valencene is mainly used in flavours for the beverage industry (Citrus) and in fragrances Isobionics offers 2 qualities of Natural Valencene with a minimal purity of 75% and 80%. Valencene 75 and Valencene 80 is certified to be Kosher & Halal, FEMA 4838, Foodgrade and EU and US Natural. | Orange, sweet, woody |
| (data available) |
| Applications | |
| Odor purposes | Citrus, Grapefruit, Orange, Oriental, Woody |
| Other purposes | Dry |
| Cosmetic purposes | Perfuming agents |
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xn - Harmful. | |
| R 65 - Harmful: may cause lung damage if swallowed. S 02 - Keep out of the reach of children. S 62 - If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label. | |
| 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: | |
| oral-rat LD50 [sex: M] > 5000 mg/kg One dose tested (Moreno, 1980m) | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 5000 mg/kg (Moreno, 1980m) | |
| 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 | |||
| Recommendation for valencene usage levels up to: | |||
| 1.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 53.00 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 26.00 (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: 8 | |||
| Click here to view publication 8 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 0.90000 | |
| beverages(nonalcoholic): | - | 0.90000 | |
| beverages(alcoholic): | - | 0.90000 | |
| breakfast cereal: | - | 0.90000 | |
| cheese: | - | - | |
| chewing gum: | - | 0.90000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | 0.90000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 0.90000 | |
| fruit ices: | - | 0.90000 | |
| gelatins / puddings: | - | 0.90000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | - | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | - | 0.90000 | |
| 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): |
| Flavouring Group Evaluation 25, (FGE.25)[1] - Aliphatic and aromatic hydrocarbons from chemical group 31 - 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 78 (FGE.78)[1] - Consideration of Aliphatic and alicyclic and aromatic hydrocarbons evaluated by JECFA (63rd meeting) structurally related to aliphatic and aromatic hydrocarbons evaluated by EFSA in FGE.25 - Scientific Opinion of the Panel on Food Additives,Flavourings, Processing Aids and Materials in Contact with Food (AFC) View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 25Rev1: Aliphatic and aromatic hydrocarbons from chemical group 31 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 78, Revision 1 (FGE.78Rev1): Consideration of aliphatic and alicyclic and aromatic hydrocarbons evaluated by JECFA (63rd meeting) structurally related to aliphatic and aromatic hydrocarbons evaluated by EFSA in FGE.25Rev2 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 25, Revision 2 (FGE.25Rev2): Aliphatic and aromatic hydrocarbons from chemical group 31 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 the safety and efficacy of aliphatic and aromatic hydrocarbons (chemical group 31) when used as flavourings for all animal species View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 78, Revision 2 (FGE.78Rev2): Consideration of aliphatic and alicyclic and aromatic hydrocarbons evaluated by JECFA (63rd meeting) structurally related to aliphatic hydrocarbons evaluated by EFSA in FGE.25Rev3 View page or View pdf |
| Safety and efficacy of eight compounds belonging to chemical group 31 (aliphatic and aromatic hydrocarbons) when used as flavourings for all animal species and categories View page or View pdf |
| Safety of 31 flavouring compounds belonging to different chemical groups when used as feed additives for all animal species View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):4630-07-3 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :288227 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:3 |
| 4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene |
| Chemidplus:0004630073 |
| (3R,4aR,5R)-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene |
| (2R)-8,8,8a-trimethyl-2-prop-1-en-2-yl-1,2,3,4,6,7-hexahydronaphthalene |