| Name: | 1-methyl-4-(6-methylhepta-2,5-dien-2-yl)cyclohexene |
| CAS Number: | 17627-44-0 |  3D/inchi
|
| Other(deleted CASRN): | 57194-38-4 |
| ECHA EINECS - REACH Pre-Reg: | 241-610-9 |
| FDA UNII: | SUQ209P6FX |
| XlogP3-AA: | 5.20 (est) |
| Molecular Weight: | 204.35628000 |
| Formula: | C15 H24 |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) |
| Also(can) Contains: | alpha-farnesene |
| EFSA/JECFA Comments: |
| CASrn in Register refers to the racemate, (Z)- or (E)- isomer not specified.
Racemate of (R)- and (S)-isomers, mixture of (E)- and (Z)-isomers (EFFA, 2010a). CASrn in Register refers to the racemate. Composition of stereoisomeric mixture to be specified. |
Category:flavor and fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 95.00 to 100.00
|
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.91200 to 0.91800 @ 25.00 °C.
|
| Pounds per Gallon - (est).: | 7.589 to 7.639
|
| Refractive Index: | 1.48300 to 1.48900 @ 20.00 °C.
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| Boiling Point: | 276.00 to 277.00 °C. @ 760.00 mm Hg
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| Vapor Pressure: | 0.004000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 230.00 °F. TCC ( 110.00 °C. )
|
| logP (o/w): | 2.696 (est) |
| Soluble in: |
| | alcohol | | | water, 0.01161 mg/L @ 25 °C (est) |
| Insoluble in: |
| | water |
Organoleptic Properties:
| Odor Type: balsamic |
| balsamic spicy floral |
| Odor Description:at 100.00 %. balsamic spicy floral |
| 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
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| 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-bisabolene usage levels up to: | | | 6.0000 % in the fragrance concentrate.
|
| |
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.024 (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
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Scientific Opinion on Flavouring Group Evaluation 25Rev1: Aliphatic and aromatic hydrocarbons from chemical group 31
View page or View pdf
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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
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Scientific Opinion on Flavouring Group Evaluation 25, Revision 2 (FGE.25Rev2): Aliphatic and aromatic hydrocarbons from chemical group 31
View page or View pdf
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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 Substance Registry Services (TSCA):17627-44-0 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :86597 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| 1-methyl-4-(6-methylhepta-2,5-dien-2-yl)cyclohexene |
| Chemidplus:0017627440 |
References:
Other Information:
Potential Blenders and core components note
Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
| | bisabola-1,8,12-triene | | | bisabola-4,7(11),9-triene | | 1,8,12- | bisabolatriene | | a- | bisabolene | | alpha- | bisabolene | | | cyclohexene, 4-(1,5-dimethyl-1,4-hexadien-1-yl)-1-methyl- | | 4-(1,5- | dimethyl-1,4-hexadienyl)-1-methyl cyclohexene | | 4-(1,5- | dimethylhexa-1,4-dien-1-yl)-1-methylcyclohexene | | | methyl methyl cyclohexenyl heptadiene | | 6- | methyl-2-(4-methyl cyclohex-3-enyl) hept-2,5-diene | | 6- | methyl-2-(4-methylcyclohex-3-enyl)hept-2,5-diene | | 1- | methyl-4-(6-methylhepta-2,5-dien-2-yl)cyclohexene |
Articles:
| PubMed:Essential oil composition of Ficus benjamina (Moraceae) and Irvingia barteri (Irvingiaceae). |
| PubMed:A method for fast analysis of volatile components of Citrus aurantium L. leaves. |
| PubMed:Chemical composition and antibacterial activity of the essential oils of Ferula vesceritensis Coss et Dur. leaves, endemic in Algeria. |
| PubMed:Structure of a three-domain sesquiterpene synthase: a prospective target for advanced biofuels production. |
| PubMed:Changes in volatile compound composition of Antrodia camphorata during solid state fermentation. |
| PubMed:Bioactive compounds and prebiotic activity in Thailand-grown red and white guava fruit (Psidium guajava L.). |
| PubMed:[Analysis of the chemical constituents of volatile oil from Asarum insigne by GC-MS]. |
| PubMed:Pheromone attraction and cross-attraction of Nezara, Acrosternum, and Euschistus spp. stink bugs (Heteroptera: Pentatomidae) in the field. |
| PubMed:[Analysis of volatile oil from Ardisia brevicaulis]. |
| PubMed:The influence of different nutrient levels on insect-induced plant volatiles in Bt and conventional oilseed rape plants. |
| PubMed:Testing of a heterologous, wound- and insect-inducible promoter for functional genomics studies in conifer defense. |
| PubMed:Antimicrobial activity of some essential oils against microorganisms deteriorating fruit juices. |
| PubMed:From terpenoids to aliphatic acids: further evidence for late-instar switch in osmeterial defense as a characteristic trait of swallowtail butterflies in the tribe papilionini. |
| PubMed:Volatile allelochemicals in the Ageratum conyzoides intercropped citrus orchard and their effects on mites Amblyseius newsami and Panonychus citri. |
| PubMed:Asymmetric alpha-alkylation of N'-tert-butanesulfinyl amidines. Application to the total synthesis of (6R,7S)-7-amino-7,8-dihydro-alpha-bisabolene. |
| PubMed:Functional characterization of nine Norway Spruce TPS genes and evolution of gymnosperm terpene synthases of the TPS-d subfamily. |
| PubMed:Genomic organization of plant terpene synthases and molecular evolutionary implications. |
| PubMed:Cloning, expression, and characterization of epi-cedrol synthase, a sesquiterpene cyclase from Artemisia annua L. |
| PubMed:Terpenoid-based defenses in conifers: cDNA cloning, characterization, and functional expression of wound-inducible (E)-alpha-bisabolene synthase from grand fir (Abies grandis). |
| PubMed:Sesquiterpene synthases from grand fir (Abies grandis). Comparison of constitutive and wound-induced activities, and cDNA isolation, characterization, and bacterial expression of delta-selinene synthase and gamma-humulene synthase. |
| PubMed:Bisabolene epoxides in sex pheromone innezara viridula (L.) (Heteroptera: Pentatomidae): Role ofcis isomer and relation to specificity of pheromone. |
| PubMed:Identification of the defensive secretion from soldiers of the North American termite,Amitermes wheeleri (Desneux) (Isoptera: Termitidae). |
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