(E)-alpha-bisabolene
4-[(1E)-1,5-dimethylhexa-1,4-dien-1-yl]-1-methylcyclohexene
 
Notes:
None found
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CAS Number: 25532-79-0Picture of molecule3D/inchi
Other(deleted CASRN): 70286-16-7
Nikkaji Web: J410.290H
XlogP3-AA: 5.20 (est)
Molecular Weight: 204.35628000
Formula: C15 H24
NMR Predictor: Predict (works with chrome or firefox)
Category: flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 92.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 275.00 to  277.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.008000 mmHg @ 25.00 °C. (est)
Flash Point: 231.00 °F. TCC ( 110.56 °C. )
logP (o/w): 6.605 (est)
Soluble in:
 alcohol
 water, 0.01161 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
 None found
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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
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Safety in Use Information:
Category: flavor and fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for (E)-alpha-bisabolene usage levels up to:
  8.0000 % in the fragrance concentrate.
 
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Safety References:
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 : 5315468
National Institute of Allergy and Infectious Diseases: Data
 1-methyl-4-[(2E)-6-methylhepta-2,5-dien-2-yl]cyclohexene
Chemidplus: 0025532790
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References:
 1-methyl-4-[(2E)-6-methylhepta-2,5-dien-2-yl]cyclohexene
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 5315468
Pubchem (sid): 10548099
Pherobase: View
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Other Information:
(IUPAC): Atomic Weights of the Elements 2011 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
CHEBI: View
KEGG (GenomeNet): C19749
HMDB (The Human Metabolome Database): Search
Typical G.C.
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Wikipedia: View
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 helichrysum italicum oil america @ 0.03%
Data  GC  Search Trop  Picture
 lime oil expressed florida @ trace%
Data  GC  Search Trop  Picture
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Synonyms:
(9E)-bisabola-4,7(11),9-triene
trans-alpha-bisabolene
4-[(1E)-1,5-dimethylhexa-1,4-dien-1-yl]-1-methylcyclohexene
1-methyl-4-[(2E)-6-methylhepta-2,5-dien-2-yl]cyclohexene
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Articles:
PubMed: Engineering Limonene and Bisabolene Production in Wild Type and a Glycogen-Deficient Mutant of Synechococcus sp. PCC 7002.
PubMed: Chemical composition, antioxidant, anti-inflammatory and anti-proliferative activities of essential oils of plants from burkina faso.
PubMed: A method for fast analysis of volatile components of Citrus aurantium L. leaves.
PubMed: Chemical composition and biological activity of the volatile extracts of Achillea millefolium.
PubMed: Chemical composition of the essential oil of aerial parts of Haussknechtia elymaitica Boiss. from Iran: a good natural source for trans-asaron.
PubMed: Chemical variability of Copaifera reticulata Ducke oleoresin.
PubMed: Pharmacological evaluation of Copaifera multijuga oil in rats.
PubMed: [Analysis of the chemical constituents of volatile oil from Asarum insigne by GC-MS].
PubMed: Sesquiterpene synthases Cop4 and Cop6 from Coprinus cinereus: catalytic promiscuity and cyclization of farnesyl pyrophosphate geometric isomers.
PubMed: Pheromone attraction and cross-attraction of Nezara, Acrosternum, and Euschistus spp. stink bugs (Heteroptera: Pentatomidae) in the field.
PubMed: [Study on the volatile oil of Murraya exotica].
PubMed: Analysis of volatiles in dehydrated carrot samples by solid-phase microextraction followed by GC-MS.
PubMed: Antimicrobial activity of essential oils of Ocimum gratissimum L. From different populations of Kenya.
PubMed: [Analysis of volatile oil in herb of pimpinella candolleana by SPME-GC-MS].
PubMed: Testing of a heterologous, wound- and insect-inducible promoter for functional genomics studies in conifer defense.
PubMed: Nitroalkenes and sesquiterpene hydrocarbons from the frontal gland of three prorhinotermes termite species.
PubMed: Variability of the needle essential oils of Pinus heldreichii from different populations in Montenegro and Serbia.
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: Designed divergent evolution of enzyme function.
PubMed: Essential oil composition of aerial parts of Angelica glauca growing wild in North-West Himalaya (India).
PubMed: Functional characterization of nine Norway Spruce TPS genes and evolution of gymnosperm terpene synthases of the TPS-d subfamily.
PubMed: [Chemical constituents of essential oil from roots and rhizomes of Valeriana alernifolia Bunge].
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: Comparison of volatiles emitted by male caribbean and mexican fruit flies.
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