alpha-bisabolene
4-(1,5-dimethylhexa-1,4-dien-1-yl)-1-methylcyclohexene
Identification
| Name | alpha-bisabolene |
| IUPAC | 1-methyl-4-(6-methylhepta-2,5-dien-2-yl)cyclohexene |
| CAS Number | 17627-44-0 |
| EINECS | 241-610-9 |
| FDA UNII | SUQ209P6FX |
| Molecular Formula | C15 H24 |
| Molecular Weight | 204.35628000 |
Regulatory
| DG SANTE Food Flavourings | 01.027 bisabola-1,8,12-triene |
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. |
| Boiling Point | 276.00 to 277.00 °C. @ 760.00 mm Hg |
| 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 |
| Insoluble in | water |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Description | at 100.00 %. |
Safety Information
| Oral/Parenteral Toxicity | Not determined |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| 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 |
| Dairy products, excluding products of category 02.0 (01.0) | 7.00000 |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0) | 5.00000 |
| Edible ices, including sherbet and sorbet (03.0) | 10.00000 |
| Processed fruit (04.1) | 7.00000 |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) | - |
| Confectionery (05.0) | 10.00000 |
| Chewing gum (05.3) | - |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) | 5.00000 |
| Bakery wares (07.0) | 10.00000 |
| Meat and meat products, including poultry and game (08.0) | 2.00000 |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) | 2.00000 |
| Eggs and egg products (10.0) | - |
| Sweeteners, including honey (11.0) | - |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0) | 5.00000 |
| Foodstuffs intended for particular nutritional uses (13.0) | 10.00000 |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1) | 5.00000 |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) | 10.00000 |
| Ready-to-eat savouries (15.0) | 20.00000 |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) | 5.00000 |
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Chemical sources Association Inc
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Indukern, S.A. F&F Ingredients Division
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The Lermond Company
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The Lermond family has been sourcing raw materials for the flavor and fragrance industry for nearly 7 decades.
Potential Uses
Natural Occurrence
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
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).