| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 10208-80-7 |
| FDA UNII: | Search |
| CoE Number: | 11011 |
| Category: | flavoring agents |
| IUPAC Name: | (-)-alpha-muurolene |
| InChI : | InChI=1/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,9-10,13-15H,5,7-8H2,1-4H3/t13-,14+,15-/m0/s1 |
| Std.InChI: | InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,9-10,13-15H,5,7-8H2,1-4H3/t13-,14+,15-/m0/s1 |
| InChIKey : | QMAYBMKBYCGXDH-ZNMIVQPWBJ |
| Std.InChIKey: | QMAYBMKBYCGXDH-ZNMIVQPWSA-N |
| SMILES : | CC(C)[C@@H]1C\C=C(\C)[C@H]2CCC(\C)=C/[C@@H]12 |
| Molar Refractivity : | 66.64 ± 0.3 cm3 (est) |
| Parachor : | 531.4 ± 6.0 cm3 (est) |
| Index of Refraction : | 1.483 ± 0.02 (est) |
| Surface Tension : | 27.0 ± 3.0 dyne/cm (est) |
| Density : | 0.876 ± 0.06 g/cm3 (est) |
| Polarizability : | 26.42 ± 0.5 10-24cm3 (est) |
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.91100 to 0.91700 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.580 to 7.630 |
| Refractive Index: | 1.50200 to 1.50800 @ 20.00 °C. |
| Boiling Point: | 271.00 to 272.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.011000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 223.00 °F. TCC ( 106.11 °C. ) |
| logP (o/w): | 6.557 (est) |
| Soluble in: | |
| alcohol | |
| water, 0.06276 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| None found |
| Chemical Sources Association |
| Need This Item for Flavor/Food?: You can contact the Chemical Sources Association |
| 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: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
| Category: | |||
| flavoring agents | |||
| Recommendation for (-)-alpha-muurolene usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.24 (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 3900 (μg/person/day) | ||
| Threshold of Concern: | 1800 (μg/person/day) | ||
| Structure Class: | I | ||
| 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 | |
| Chewing gum (05.3): | - | - | |
| 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): | 5.00000 | 25.00000 | |
| 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 | |
| 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 |
| Scientific opinion on Flavouring Group Evaluation 25, Revision 3 (FGE.25Rev3): Aliphatic hydrocarbons from chemical group 31 View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :12306047 |
| National Institute of Allergy and Infectious Diseases:Data |
| (1S,4aS,8aR)-1-isopropyl-4,7-dimethyl-1,2,4a,5,6,8a-hexahydronaphthalene |
| Chemidplus:0010208807 |
| (1S,4aS,8aR)-1-isopropyl-4,7-dimethyl-1,2,4a,5,6,8a-hexahydronaphthalene | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 12306047 |
| Pubchem (sid): | 135195105 |
| Flavornet: | 10208-80-7 |
| Pherobase: | View |
| (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 |
| CHEBI: | View |
| HMDB (The Human Metabolome Database): | Search |
| FooDB: | FDB016928 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
| None Found |
| None Found |
| allspice fruit Search Trop Picture | |
| allspice leaf Search Trop Picture | |
| allspice leaf oil Search Trop Picture | |
| angelica root oil @ 0.10% Data GC Search Trop Picture | |
| angelica seed oil @ 0.50% Data GC Search Trop Picture | |
| anise star anise fruit Search Trop Picture | |
| basil plant Search Trop Picture | |
| bay laurel leaf Search Trop Picture | |
| bay leaf oil @ 0.00-0.05% Data GC Search Trop Picture | |
| bilberry fruit - 0.005 mg/kg Search Trop Picture | |
| blood orange oil (citrus sinensis l. var. sanguinello) italy @ trace% Data GC Search Trop Picture | |
| blood orange oil (citrus sinensis l. var. tarocco) italy @ trace% Data GC Search Trop Picture | |
| blood orange oil italy @ 0.005% Data GC Search Trop Picture | |
| calamus root oil @ 0.96% Data GC Search Trop Picture | |
| cananga leaf oil @ 1.1% Data GC Search Trop Picture | |
| cassinia laevis flower oil australia @ 7.70% Data GC Search Trop Picture | |
| cassinia laevis leaf oil australia @ 9.60% Data GC Search Trop Picture | |
| cedrela wood oil @ 1.00% Data GC Search Trop Picture | |
| chamomile sweet false chamomile plant Search Trop Picture | |
| cinnamomum fragrans baillon leaf oil madagascar @ 0.20% Data GC Search Trop Picture | |
| citronella oil ceylon @ 0.46% Data GC Search Trop Picture | |
| citronella oil china @ 0.52% Data GC Search Trop Picture | |
| citronella oil java @ 0.46% Data GC Search Trop Picture | |
| citronella oil zimbabwe @ 0.89% Data GC Search Trop Picture | |
| clary sage oil spain @ 0.40% Data GC Search Trop Picture | |
| clove fruit Search Trop Picture | |
| clove leaf Search Trop Picture | |
| corn leaf Search Trop Picture | |
| croton cajucara benth. leaf oil brazil @ 1.20% Data GC Search Trop Picture | |
| cubeb oil @ 0.62% Data GC Search Trop Picture | |
| cypress oil @ trace-0.10% Data GC Search Trop Picture | |
| eucalyptus globulus bicostata oil @ 0.51% Data GC Search Trop Picture | |
| eucalyptus globulus maidenii f. muell oil @ 0.40% Data GC Search Trop Picture | |
| eucalyptus globulus oil @ 0.18% Data GC Search Trop Picture | |
| fleabane oil (conyza canadensis) @ 0.10% Data GC Search Trop Picture | |
| geranium leaf oil india @ 0.89% Data GC Search Trop Picture | |
| geranium petiole oil india @ 0.34% Data GC Search Trop Picture | |
| geranium stem oil india @ 0.08% Data GC Search Trop Picture | |
| ginger rhizome oil Search Trop Picture | |
| guava fruit oil reunion @ 0.40% Data GC Search Trop Picture | |
| helichrysum italicum oil america @ 0.37% Data GC Search Trop Picture | |
| hinoki leaf oil @ 3.81% Data GC Search Trop Picture | |
| hinoki root oil @ 1.71% Data GC Search Trop Picture | |
| hinoki wood oil @ 5.78% Data GC Search Trop Picture | |
| hyptis suaveolens (l.) poit. oil mali @ 0.20-0.50% Data GC Search Trop Picture | |
| juniper berry oil @ 10.50% Data GC Search Trop Picture | |
| labdanum oil @ 0.62% Data GC Search Trop Picture | |
| laurel leaf oil turkey @ trace% Data GC Search Trop Picture | |
| lemon balm shoot Search Trop Picture | |
| lime oil distilled mexico @ 0.03% Data GC Search Trop Picture | |
| mango fruit - up to 0.009 mg/kg Search Trop Picture | |
| manuka var. scoparium oil new zealand @ 0.77% Data GC Search Trop Picture | |
| melissa oil slovak republic @ 0.14% Data GC Search Trop Picture | |
| mikania cordata (burm. f.) b.l. robinson var. cordata leaf oil france @ 1.10% Data GC Search Trop Picture | |
| myrrhinium atropurpureum schott leaf oil brazil @ 1.10% Data GC Search Trop Picture | |
| nutmeg - trace amount Search Trop Picture | |
| orange peel oil sweet c.p. (citrus sinensis l. var. biondo comune) blond italy @ 0.004% Data GC Search Trop Picture | |
| (1S,4aS,8aR)-4,7- | dimethyl-1-(propan-2-yl)-1,2,4a,5,6,8a-hexahydronaphthalene |
| 2,8- | dimethylene-5-isopropyl bicyclo(4.4.0)decane |
| (1S- (1alpha,4aalpha, 8aalpha))- 1,2,4a,5,6,8a- | hexahydro-4,7-dimethyl-1-(1-methyl ethyl) naphthalene |
| (-)-a- | muurolene |
| naphthalene, 1,2,4a,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1a,4aa,8aa)- | |
| naphthalene, 1,2,4a,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S,4aS,8aR)- | |
| (1S,4aS,8aR)-1-iso | propyl-4,7-dimethyl-1,2,4a,5,6,8a-hexahydronaphthalene |
