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

beta-humulene
(1Z,5E)-1,4,4-trimethyl-8-methylidenecycloundeca-1,5-diene

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Name:(1Z,5E)-1,4,4-trimethyl-8-methylidenecycloundeca-1,5-diene
CAS Number: 116-04-1Picture of molecule3D/inchi
FDA UNII: KK0W1K5Z3S
Beilstein Number:3238625
XlogP3-AA:4.80 (est)
Molecular Weight:204.35628000
Formula:C15 H24
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:natural substances and extractives
 
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
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 272.00 to 273.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.010000 mmHg @ 25.00 °C. (est)
Flash Point: 227.00 °F. TCC ( 108.40 °C. ) (est)
logP (o/w): 6.571 (est)
Soluble in:
 water, 0.01396 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
gamma-Humulene 95%
Santa Cruz Biotechnology
For experimental / research use only.
β-Humulene
Sigma-Aldrich: Aldrich
For experimental / research use only.
β-Humulene technical, ≥90% (GC)
sds
 
Safety Information:
Preferred SDS: View
 
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:
natural substances and extractives
Recommendation for beta-humulene usage levels up to:
 not for fragrance use.
 
Recommendation for beta-humulene flavor usage levels up to:
 not for flavor use.
 
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 :5879124
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
(1Z,5E)-1,4,4-trimethyl-8-methylidenecycloundeca-1,5-diene
Chemidplus:0000116041
 
References:
 (1Z,5E)-1,4,4-trimethyl-8-methylidenecycloundeca-1,5-diene
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):5879124
Pubchem (sid):135230600
Pherobase:View
 
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
HMDB (The Human Metabolome Database):HMDB38214
FooDB:FDB017456
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 achillea distans willd. var. distans
Search Trop Picture
 allspice fruit
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 artemisia xerophytica
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 celery seed
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 copaifera langsdorfii desf.
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 guava fruit
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 hop
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 larix sibirica
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 lemon oil
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 lippia alba
Search Trop Picture
 spearmint leaf
Search Trop Picture
 
Synonyms:
(1Z,5E)-1,4,4-trimethyl-8-methylidenecycloundeca-1,5-diene
 

Articles:

PubMed:Composition of essential oils of four Hedychium species from Vietnam.
PubMed:Sterhirsutins A and B, Two New Heterodimeric Sesquiterpenes with a New Skeleton from the Culture of Stereum hirsutum Collected in Tibet Plateau.
PubMed:Antioxidant activity of Ziziphora tenuoir methanolic extracts and comparison of the essential oil in two stages of growth.
PubMed:Chemotype diversity of indigenous Dalmatian sage (Salvia officinalis L.) populations in Montenegro.
PubMed:Chemical composition of the essential oil from the leaves of Carapa guianensis collected from Venezuelan Guayana and the antimicrobial activity of the oil and crude extracts.
PubMed:Hepatoprotection of sesquiterpenoids: a quantitative structure-activity relationship (QSAR) approach.
PubMed:Development of a high performance liquid chromatography method for quantification of isomers β-caryophyllene and α-humulene in copaiba oleoresin using the Box-Behnken design.
PubMed:Tomato yellow leaf curl virus alters the host preferences of its vector Bemisia tabaci.
PubMed:Chemical composition and antimicrobial activity of three essential oils from Curcuma wenyujin.
PubMed:Essential oils from the leaves of six medicinal plants of Nigeria.
PubMed:Isolation and biomimetic synthesis of (±)-guajadial B, a novel meroterpenoid from Psidium guajava.
PubMed:Volatile emissions of scented Alstroemeria genotypes are dominated by terpenes, and a myrcene synthase gene is highly expressed in scented Alstroemeria flowers.
PubMed:Chemical diversity in Mentha spicata: antioxidant and potato sprout inhibition activity of its essential oils.
PubMed:Accumulation of phenylpropanoid and sesquiterpenoid volatiles in male rectal pheromonal glands of the guava fruit fly, Bactrocera correcta.
PubMed:Chemical analysis and biological activity of the essential oils of two valerianaceous species from China: Nardostachys chinensis and Valeriana officinalis.
PubMed:Chemical composition and biological activities of Santiria trimera (Burseraceae) essential oils from Gabon.
PubMed:Birch (Betula spp.) leaves adsorb and re-release volatiles specific to neighbouring plants--a mechanism for associational herbivore resistance?
PubMed:[Studies on chemical constituents in fruit of Alpinia oxyphylla].
PubMed:Preventive and therapeutic anti-inflammatory properties of the sesquiterpene alpha-humulene in experimental airways allergic inflammation.
PubMed:Suppression of lipopolysaccharide-stimulated inducible nitric oxide synthase (iNOS) expression by a novel humulene derivative in macrophage cells.
PubMed:Cytotoxic activity of essential oils from labiatae and lauraceae families against in vitro human tumor models.
PubMed:Effect of two active compounds obtained from the essential oil of Cordia verbenacea on the acute inflammatory responses elicited by LPS in the rat paw.
PubMed:Zerumbone suppresses phorbol ester-induced expression of multiple scavenger receptor genes in THP-1 human monocytic cells.
PubMed:Analysis of atmospheric sesquiterpenes: sampling losses and mitigation of ozone interferences.
PubMed:Zerumbone abolishes NF-kappaB and IkappaBalpha kinase activation leading to suppression of antiapoptotic and metastatic gene expression, upregulation of apoptosis, and downregulation of invasion.
PubMed:Gastric antiulcer and anti-inflammatory activities of the essential oil from Casearia sylvestris Sw.
PubMed:Biomimetic cycloaddition approach to tropolone natural products via a tropolone ortho-quinone methide.
PubMed:Genetic control and evolution of sesquiterpene biosynthesis in Lycopersicon esculentum and L. hirsutum.
PubMed:Antifungal activity of volatile constituents of Eugenia dysenterica leaf oil.
PubMed:Studies toward the biomimetic synthesis of tropolone natural products via a hetero Diels-Alder reaction.
PubMed:Germacrene C synthase from Lycopersicon esculentum cv. VFNT cherry tomato: cDNA isolation, characterization, and bacterial expression of the multiple product sesquiterpene cyclase.
 
Notes:
Constit. of hops
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