| Name: | 6,7-dimethyl-7-(4-methylpent-3-enyl)-2,3,4,5-tetrahydro-1H-tricyclo[2.2.1.02,6]heptane |
| CAS Number: | 512-61-8 |  3D/inchi
|
| FDA UNII: | CG25XV7SXN |
| Nikkaji Web: | J13.994G |
| XlogP3-AA: | 5.20 (est) |
| Molecular Weight: | 204.35628000 |
| Formula: | C15 H24 |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) |
| EFSA/JECFA Comments: |
| CASrn in Register refers to the (-)-enantiomer.
Register name to be changed to (-)-alpha-Santalene (EFFA, 2010a).
No longer supported by Industry (DG SANCO, 2012). |
Category:flavor and fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 95.00 to 100.00
|
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.89500 to 0.90100 @ 25.00 °C.
|
| Pounds per Gallon - (est).: | 7.447 to 7.497
|
| Refractive Index: | 1.48000 to 1.48600 @ 20.00 °C.
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| Boiling Point: | 247.00 to 248.00 °C. @ 760.00 mm Hg
|
| Vapor Pressure: | 0.040000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 164.00 °F. TCC ( 73.33 °C. )
|
| logP (o/w): | 6.022 (est) |
| Soluble in: |
| | alcohol | | | water, 0.03917 mg/L @ 25 °C (est) |
| Insoluble in: |
| | water |
Organoleptic Properties:
| Odor Description:at 100.00 %. woody |
| Odor and/or flavor descriptions from others (if found). |
Cosmetic Information:
Suppliers:
Safety Information:
| |
| 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
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| Dermal Toxicity: |
|
Not determined
|
| Inhalation Toxicity: |
|
Not determined
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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 alpha-santalene usage levels up to: | | | 5.0000 % in the fragrance concentrate.
|
| |
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.012 (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 |
Safety References:
European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
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European Food Safety Authority (EFSA) reference(s):
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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
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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 :94164 |
| National Institute of Allergy and Infectious Diseases:Data |
| 6,7-dimethyl-7-(4-methylpent-3-enyl)-2,3,4,5-tetrahydro-1H-tricyclo[2.2.1.02,6]heptane |
| Chemidplus:0000512618 |
References:
| | 6,7-dimethyl-7-(4-methylpent-3-enyl)-2,3,4,5-tetrahydro-1H-tricyclo[2.2.1.02,6]heptane |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 94164 |
| Pubchem (sid): | 135051124 |
| Pherobase: | View |
Other Information:
Potential Blenders and core components note
Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
| (-)-1,7- | dimethyl-7-(4-methyl-3-pentenyl)-tricyclo(2.2.1.0(2,6))heptane | | 1,7- | dimethyl-7-(4-methyl-3-pentenyl)-tricyclo[2.2.1.0(2,6)]heptane | | 6,7- | dimethyl-7-(4-methylpent-3-enyl)-2,3,4,5-tetrahydro-1H-tricyclo[2.2.1.02,6]heptane | | alpha- | santal-10-ene | | (-)-alpha- | santalene | | a- | santalene |
Articles:
| PubMed:Biosynthesis of Sandalwood Oil: Santalum album CYP76F cytochromes P450 produce santalols and bergamotol. |
| PubMed:Molecular regulation of santalol biosynthesis in Santalum album L. |
| PubMed:Essential oils from five species of Annonaceae from Vietnam. |
| PubMed:Establishing a platform cell factory through engineering of yeast acetyl-CoA metabolism. |
| PubMed:Revisiting sesquiterpene biosynthetic pathways leading to santalene and its analogues: a comprehensive mechanistic study. |
| PubMed:Combined metabolic engineering of precursor and co-factor supply to increase α-santalene production by Saccharomyces cerevisiae. |
| PubMed:Preparative separation of α- and β-santalenes and (Z)-α- and (Z)-β-santalols using silver nitrate-impregnated silica gel medium pressure liquid chromatography and analysis of sandalwood oil. |
| PubMed:Characterization of two genes for the biosynthesis of the labdane diterpene Z-abienol in tobacco (Nicotiana tabacum) glandular trichomes. |
| PubMed:Sesquiterpenes from the inner bark of the silver birch and the paper birch. |
| PubMed:Dynamic control of gene expression in Saccharomyces cerevisiae engineered for the production of plant sesquitepene α-santalene in a fed-batch mode. |
| PubMed:Theoretical calculations on carbocations involved in the biosynthesis of bergamotenes and related terpenes--the same and not the same. |
| PubMed:Comparison of the essential oils of leaves and stem bark from two different populations of Drimys winteri a Chilean herbal medicine. |
| PubMed:Sandalwood fragrance biosynthesis involves sesquiterpene synthases of both the terpene synthase (TPS)-a and TPS-b subfamilies, including santalene synthases. |
| PubMed:Chemical composition and larvicidal activity against Aedes aegypti larvae of essential oils from four Guarea species. |
| PubMed:Comparative study of chemical composition and antioxidant activity of fresh and dry rhizomes of turmeric (Curcuma longa Linn.). |
| PubMed:A novel pathway for sesquiterpene biosynthesis from Z,Z-farnesyl pyrophosphate in the wild tomato Solanum habrochaites. |
| PubMed:Antioxidant, alpha-amylase inhibitory and brine-shrimp toxicity studies on Centaurea centaurium L. methanolic root extract. |
| PubMed:Chemical composition, antimicrobial and antioxidant activity of the essential oil of Teucrium marum (Lamiaceae). |
| PubMed:Composition and some biological activities of the essential oils from an African pasture grass: Elionurus elegans Kunth. |
| PubMed:Genetic control and evolution of sesquiterpene biosynthesis in Lycopersicon esculentum and L. hirsutum. |
| PubMed:Chemical variability of the volatile metabolites from the Caribbean corals of the genus Gorgonia. |
| PubMed:Analysis of fragrance compounds in blood samples of mice by gas chromatography, mass spectrometry, GC/FTIR and GC/AES after inhalation of sandalwood oil. |
| PubMed:Anti-inflammatory activity of extracts from Conyza canadensis. |
| PubMed:Synthesis of campherenone, epicampherenone, beta-santalene, epi-beta-santalene, alpha-santalene, ylangocamphor, copacamphor, and sativene. |
| PubMed:Microbiological transformations of terpenes. III. Transformations of some mono- and sesqui-terpenes. |
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