EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

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

Sponsors

Name:1-methyl-4-(6-methylhepta-2,5-dien-2-yl)cyclohexene
CAS Number: 17627-44-0Picture of molecule3D/inchi
Other: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 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:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
FLAVIS Number:01.027 (Old)
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 mm/Hg @ 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
Odor Strength:medium
balsamic spicy floral
Odor Description:at 100.00 %. balsamic spicy floral
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
BOC Sciences
For experimental / research use only.
6-methyl-2-(4-methylcyclohex-3-enyl)hept-2,5-diene 97.0% (sum of isomers)
Ernesto Ventós
BISABOLENE
Indukern F&F
ALPHA BISABOLENE NATURAL
Odor: CITRUS, BALSAMIC, SPICY, WOODY
Indukern F&F
BISABOLENE
Odor: SPICY, BALSAMIC, AGRESTIC, TERPENIC
Parchem
alpha-bisabolene
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
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
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
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/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 7.0000035.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 5.0000025.00000
Edible ices, including sherbet and sorbet (03.0): 10.0000050.00000
Processed fruit (04.1): 7.0000035.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 10.0000050.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 5.0000025.00000
Bakery wares (07.0): 10.0000050.00000
Meat and meat products, including poultry and game (08.0): 2.0000010.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 2.0000010.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 5.0000025.00000
Foodstuffs intended for particular nutritional uses (13.0): 10.0000050.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 5.0000025.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 10.0000050.00000
Ready-to-eat savouries (15.0): 20.00000100.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 5.0000025.00000
 
Safety References:
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
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:
 1-methyl-4-(6-methylhepta-2,5-dien-2-yl)cyclohexene
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:17627-44-0
Pubchem (cid):86597
Pubchem (sid):135042630
Pherobase:View
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
HMDB (The Human Metabolome Database):HMDB35161
FooDB:FDB013799
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
RSC Learn Chemistry:View
 
Potential Blenders and core components note
For Odor
No odor group found for these
para-
menth-1-en-9-al
FL/FR
aldehydic
aldehydic
agrumen nitrile
FR
amber
labdanum oil
FL/FR
balsamic
artemisia annua herb oil bulgaria
FL/FR
sumatra
benzoin absolute
FL/FR
benzyl cinnamate
FL/FR
cinnamyl alcohol
FL/FR
cinnamyl benzoate
FL/FR
copaiba balsam oil
FL/FR
ethyl cinnamate
FL/FR
guaiacyl phenyl acetate
FL/FR
alpha-
methyl cinnamyl alcohol
FR
myrrh oil CO2 extract
FL/FR
myrrh resinoid
FR
opoponax oil (balsamodendron kafal)
FL/FR
opoponax oil (commiphora erythraea var. glabrescens engle)
FL/FR
opoponax resinoid (balsamodendron kafal)
FR
3-
phenyl propyl acetate
FL/FR
3-
phenyl propyl cinnamate
FL/FR
caramellic
mesitene lactone
FR
cheesy
2-
heptanone
FL/FR
earthy
3-
octen-2-one
FL/FR
pinus sylvestris leaf absolute
FL/FR
floral
iso
butyl salicylate
FL/FR
cardamom absolute
FL/FR
carnation concrete
FR
cestrum nocturnum flower oil
FR
coffee flower absolute
FR
coriander seed oil
FL/FR
daffodil fragrance
FR
iso
eugenyl ethyl acetal
FR
geranium oil bourbon
FL/FR
ginger lily fragrance
FR
hawthorn specialty
FR
jasmin absolute italy (from concrete)
FL/FR
jonquil absolute replacer
FR
ortho-
methoxybenzyl ethyl ether
FR
rhodinol
FL/FR
rose absolute (rosa centifolia)
FL/FR
rose absolute (rosa centifolia) morocco
FL/FR
rose oil (rosa centifolia) egypt
FL/FR
rose oil (rosa damascena) bulgaria
FL/FR
rose oil (rosa damascena) iran
FL/FR
rose oil (rosa damascena) turkey
FL/FR
rose oil replacer
FR
tuberose absolute chassis
FL/FR
tuberose absolute replacer
FR
ylang ylang flower absolute
FL/FR
fruity
marigold absolute (tagetes glandulifera)
FR
perillyl acetate
FL/FR
xanthoxylum fruit oil
FR
green
sec-
butyl-3-methyl but-2-ene thioate
FL/FR
carrot leaf oil (daucus carota ssp.maximus)
FR
marigold pot absolute
FL/FR
marigold pot flower
CS
privet dioxane
FR
herbal
agate fragrance
FR
carvacryl methyl ether
FL/FR
coriander seed absolute
FL/FR
coriander seed concrete
FR
american
elder flower absolute
FR
herbal acetal
FR
1-para-
menthen-9-yl acetate
FL/FR
T-
muurolol
FL/FR
3-
nonanol
FL/FR
curled
parsley seed oil
FL/FR
rose oil (rosa centifolia) morocco
FL/FR
saffron indenone
FL/FR
safranal
FL/FR
thymyl methyl ether
FL/FR
minty
ethyl salicylate
FL/FR
musk
musk indanone
FR
spicy
acacia fragrance
FR
amyl isoeugenol
FR
homo
anisaldehyde
FL/FR
bay leaf oil terpeneless
FL/FR
benzyl isoeugenol
FL/FR
iso
butyl (E,E)-2,4-decadienamide
FL/FR
cananga leaf oil
FR
carnation absolute replacer
FR
carrot weed oil
FL/FR
carvacryl ethyl ether
FL/FR
cinnamaldehyde / methyl anthranilate schiff's base
FR
cinnamaldehyde dimethyl acetal
FL/FR
cinnamyl acetate
FL/FR
(E)-
cinnamyl acetate
FL/FR
(Z)-
cinnamyl acetate
FL/FR
cinnamyl propionate
FL/FR
clove bud oleoresin
FL/FR
(-)-
cubenol
FL/FR
cuminyl alcohol
FL/FR
black
currant bud absolute
FL/FR
eugenyl benzoate
FL/FR
floral spice fragrance
FR
mace oil CO2 extract
FL/FR
mace oleoresin
FL/FR
maja fragrance
FR
para-
methoxy-alpha-methyl cinnamaldehyde
FL/FR
(E)-para-
methoxycinnamaldehyde
FL/FR
alpha-
methyl cinnamaldehyde
FL/FR
nutmeg absolute
FL/FR
nutmeg oil CO2 extract
FL/FR
origanum majorana oil
FL/FR
origanum majorana oil morocco
FL/FR
spicy acetoacetate
FL/FR
annus
wormwood oil vietnam
FL/FR
terpenic
cypress leaf oil
FR
tonka
dihydrocoumarin replacer
FR
woody
agarwood specialty
FR
bruyere root absolute
FR
guaiacwood oil 20% in gurjun balsam oil
FR
kaempferia galanga rhizome oil
FL/FR
patchouli absolute
FR
rhubarb oxirane
FR
woody octene
FR
For Flavor
No flavor group found for these
homo
anisaldehyde
FL/FR
artemisia annua herb oil bulgaria
FL/FR
iso
butyl (E,E)-2,4-decadienamide
FL/FR
sec-
butyl-3-methyl but-2-ene thioate
FL/FR
carvacryl ethyl ether
FL/FR
carvacryl methyl ether
FL/FR
(Z)-
cinnamyl acetate
FL/FR
(E)-
cinnamyl acetate
FL/FR
cinnamyl benzoate
FL/FR
2,4-
dimethyl anisole
FL
eugenyl benzoate
FL/FR
2-
heptyl cyclopropane carboxylic acid
FL
para-
menth-1-en-9-al
FL/FR
para-
methoxy-alpha-methyl cinnamaldehyde
FL/FR
(E)-para-
methoxycinnamaldehyde
FL/FR
T-
muurolol
FL/FR
3-
nonanol
FL/FR
pinus sylvestris leaf absolute
FL/FR
hexyl 3-mercaptobutanoate
FL
amber
amber
labdanum oil
FL/FR
balsamic
copaiba balsam oil
FL/FR
ethyl cinnamate
FL/FR
myrrh oil CO2 extract
FL/FR
opoponax oil (balsamodendron kafal)
FL/FR
opoponax oil (commiphora erythraea var. glabrescens engle)
FL/FR
3-
phenyl propyl acetate
FL/FR
berry
perillyl acetate
FL/FR
camphoreous
kaempferia galanga rhizome oil
FL/FR
cheesy
2-
heptanone
FL/FR
cooling
iso
butyl salicylate
FL/FR
creamy
3-
octen-2-one
FL/FR
floral
cardamom absolute
FL/FR
cinnamyl propionate
FL/FR
geranium oil bourbon
FL/FR
jasmin absolute italy (from concrete)
FL/FR
rhodinol
FL/FR
rose absolute (rosa centifolia)
FL/FR
rose absolute (rosa centifolia) morocco
FL/FR
rose oil (rosa centifolia) egypt
FL/FR
rose oil (rosa damascena) bulgaria
FL/FR
rose oil (rosa damascena) iran
FL/FR
rose oil (rosa damascena) turkey
FL/FR
tuberose absolute chassis
FL/FR
ylang ylang flower absolute
FL/FR
fruity
1-para-
menthen-9-yl acetate
FL/FR
green
carrot weed oil
FL/FR
cinnamyl alcohol
FL/FR
marigold pot absolute
FL/FR
herbal
coriander seed absolute
FL/FR
coriander seed oil
FL/FR
origanum majorana oil
FL/FR
curled
parsley seed oil
FL/FR
rose oil (rosa centifolia) morocco
FL/FR
saffron indenone
FL/FR
minty
ethyl salicylate
FL/FR
musty
thymyl methyl ether
FL/FR
phenolic
guaiacyl phenyl acetate
FL/FR
spicy
bay leaf oil terpeneless
FL/FR
sumatra
benzoin absolute
FL/FR
benzyl cinnamate
FL/FR
benzyl isoeugenol
FL/FR
cinnamaldehyde dimethyl acetal
FL/FR
cinnamyl acetate
FL/FR
clove bud oleoresin
FL/FR
(-)-
cubenol
FL/FR
cuminyl alcohol
FL/FR
black
currant bud absolute
FL/FR
galangal root oleoresin
FL
mace oil CO2 extract
FL/FR
mace oleoresin
FL/FR
4-
methyl biphenyl
FL
alpha-
methyl cinnamaldehyde
FL/FR
nutmeg absolute
FL/FR
nutmeg oil CO2 extract
FL/FR
origanum majorana oil morocco
FL/FR
3-
phenyl propyl cinnamate
FL/FR
spicy acetoacetate
FL/FR
annus
wormwood oil vietnam
FL/FR
woody
safranal
FL/FR
 
Potential Uses:
FRbergamot
FRlemon
FRmyrrh
FRneroli
 
Occurrence (nature, food, other):note
 basil absolute sweet @ 0.32%
Data GC Search Trop Picture
 basil oil sweet egypt @ 1.29%
Data GC Search Trop Picture
 basil plant
Search Trop Picture
 basil shoot oil
Search Trop Picture
 carrot seed oil @ 3.00%
Data GC Search Trop Picture
 celery seed oil egypt @ 0.12%
Data GC Search Trop Picture
 guava fruit oil reunion @ 0.60%
Data GC Search Trop Picture
 laurel leaf oil turkey @ 0.20%
Data GC Search Trop Picture
 lime fruit
Search Trop Picture
 oregano plant
Search Trop Picture
 oregano shoot
Search Trop Picture
 pepper black pepper fruit oil
Search Trop Picture
 thyme oil red CO2 extract spain @ 0.8%
Data GC Search Trop Picture
 thyme oil wild or creeping france @ 0.05%
Data GC Search Trop Picture
 
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).
 
Notes:
Flavouring ingredient isol. from bisabol myrrh and other natural sources, e.g. lemon, bergamot
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