alpha-bisabolene

4-(1,5-dimethylhexa-1,4-dien-1-yl)-1-methylcyclohexene

CAS: 17627-44-0 C15 H24 MW: 204.35628000 balsamic

Identification

Namealpha-bisabolene
IUPAC1-methyl-4-(6-methylhepta-2,5-dien-2-yl)cyclohexene
CAS Number17627-44-0
EINECS241-610-9
FDA UNIISUQ209P6FX
Molecular FormulaC15 H24
Molecular Weight204.35628000

Regulatory

DG SANTE Food Flavourings01.027 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

CosIngcosmetic data
Cosmetic Usesperfuming agents

Organoleptic Properties

Odor Description at 100.00 %.

Safety Information

Oral/Parenteral ToxicityNot determined
Dermal ToxicityNot determined
Inhalation ToxicityNot determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categoryflavor and fragrance agents
RIFM Fragrance Material Safety AssessmentSearch
Recommendation for alpha-bisabolene usage levels up to6.0000 % 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 Concern1800 (μg/person/day)
Structure ClassI
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

Exchange of knowledge

Need This Item for Flavor? You can contact the Chemical Sources Association.

Indukern, S.A. F&F Ingredients Division

Commitment to quality

Idukern F&F Ingredients is your partner for the fragrance and flavor ingredients.

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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.

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Ernesto Ventós S.A.

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Potential Uses

FR bergamot FR lemon FR myrrh FR neroli

Natural Occurrence

basil absolute sweet @ 0.32% Data basil oil sweet egypt @ 1.29% Data basil plant basil shoot oil carrot seed oil @ 3.00% Data celery seed oil egypt @ 0.12% Data guava fruit oil reunion @ 0.60% Data laurel leaf oil turkey @ 0.20% Data lime fruit oregano plant oregano shoot pepper black pepper fruit oil thyme oil red CO2 extract spain @ 0.8% Data thyme oil wild or creeping france @ 0.05% Data

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).