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

alpha-bulnesene
azulene, 1,2,3,5,6,7,8,8a-octahydro-1,4-dimethyl-7-(1-methylethenyl)-, (1S-(1a,4a,7a))-

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Name:(3S,3aS,5R)-3,8-dimethyl-5-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroazulene
CAS Number: 3691-11-0Picture of molecule3D/inchi
FDA UNII: Search
Nikkaji Web:J14.455J
MDL:MFCD10567352
XlogP3-AA:4.60 (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: 274.00 to 275.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.009000 mmHg @ 25.00 °C. (est)
Flash Point: 226.00 °F. TCC ( 107.78 °C. )
logP (o/w): 6.628 (est)
Shelf Life: 12.00 month(s) or longer if stored properly.
Storage:refrigerate in tightly sealed containers.
Soluble in:
 alcohol
 water, 0.04167 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
(3S,3aS,5R)-3,8-dimethyl-5-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroazulene 95%
Sigma-Aldrich
For experimental / research use only.
a-Bulnesene technical, ≥85% (GC)
 
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:
natural substances and extractives
Recommendation for alpha-bulnesene usage levels up to:
 not for fragrance use.
 
Recommendation for alpha-bulnesene 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 :94275
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
(3S,3aS,5R)-3,8-dimethyl-5-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroazulene
Chemidplus:0003691110
 
References:
 (3S,3aS,5R)-3,8-dimethyl-5-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroazulene
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):94275
Pubchem (sid):135050494
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
CHEBI:View
KEGG (GenomeNet):C20174
HMDB (The Human Metabolome Database):HMDB36444
FooDB:FDB015331
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 agarwood oil @ 0.20%
Data GC Search PMC Picture
 basil plant
Search Trop Picture
 basil shoot oil
Search Trop Picture
 cotton
Search Trop Picture
 croton cajucara benth. leaf oil brazil @ 0.20%
Data GC Search Trop Picture
 eucalyptus globulus bicostata oil @ 0.22%
Data GC Search Trop Picture
 eucalyptus globulus maidenii f. muell oil @ 0.32%
Data GC Search Trop Picture
 eucalyptus globulus oil @ 0.40%
Data GC Search Trop Picture
 galangal root oil @ 0.22%
Data GC Search Trop Picture
 geranium rose-scented oil (pelargonium spp.) cuba @ 2.40%
Data GC Search Trop Picture
 mandarin oil uruguay @ trace%
Data GC Search Trop Picture
 mango fruit
Search Trop Picture
 manuka var. eximium oil australia @ trace%
Data GC Search Trop Picture
 patchouli oil china @ 8.65%
Data GC Search Trop Picture
 pepper black pepper fruit oil
Search Trop Picture
 sage oil dalmatian @ trace%
Data GC Search Trop Picture
 sundacarpus amarus (blume) c.n. page leaf oil australia @ 0.10%
Data GC Search Trop Picture
 tea tree oil australia @ 0.19%
Data GC Search Trop Picture
 zanthoxylum bracchyacanthum l. leaf oil australia @ 0.10%
Data GC Search Trop Picture
 
Synonyms:
 azulene, 1,2,3,5,6,7,8,8a-octahydro-1,4-dimethyl-7-(1-methylethenyl)-, (1S-(1a,4a,7a))-
 azulene, 1,2,3,5,6,7,8,8a-octahydro-1,4-dimethyl-7-(1-methylethenyl)-, (1S-(1alpha,4alpha,7alpha))-
(+)-a-bulnesene
(+)-alpha-bulnesene
a-bulnesene
(3S,3aS,5R)-3,8-dimethyl-5-(prop-1-en-2-yl)-1,2,3,3a,4,5,6,7-octahydroazulene
(3S,3aS,5R)-3,8-dimethyl-5-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroazulene
 guaia-1(10),11-diene
d-guaiene
delta-guaiene
(1S-(1alpha,4alpha,7alpha))- 1,2,3,5,6,7,8,8a-octahydro-1,4-dimethyl-7-(1-methyl ethenyl) azulene
 

Articles:

Google Patents:Alpha-bulnesene, its preparation and its use
PubMed:[Study of production of sesquiterpenes of Aquilaria senensis stimulated by Lasiodiplodia theobromae].
PubMed:Anti-inflammatory guaiane-type sesquiterpenes from the fruits of Pittosporum undulatum.
PubMed:Insecticidal and repellence activity of the essential oil of Pogostemon cablin against urban ants species.
PubMed:Identification of genes related to agarwood formation: transcriptome analysis of healthy and wounded tissues of Aquilaria sinensis.
PubMed:Platelet-activating factor (PAF)-antagonists of natural origin.
PubMed:Quantitative and physical evaluation of patchouli essential oils obtained from different sources of Pogostemon cablin.
PubMed:Chemical diversity in the essential oil of Indian valerian (Valeriana jatamansi Jones).
PubMed:Acaricidal activity against Tetranychus urticae and essential oil composition of four Croton species from Caatinga biome in northeastern Brazil.
PubMed:Phytochemical investigation and antifeedant activity of Premna latifolia leaves.
PubMed:A comparison of headspace solid-phase microextraction and classic hydrodistillation for the identification of volatile constituents from Thapsia spp. provides insights into guaianolide biosynthesis in Apiaceae.
PubMed:Genomic organization of δ-guaiene synthase genes in Aquilaria crassna and its possible use for the identification of Aquilaria species.
PubMed:Effect of water activity on the production of volatile organic compounds by Muscodor albus and their effect on three pathogens in stored potato.
PubMed:Chemical composition of volatile oils of Aquilaria malaccensis (Thymelaeaceae) from Malaysia.
PubMed:Oil constituents of Artemisia nilagirica var. septentrionalis growing at different altitudes.
PubMed:Geranium macrorrhizum L. (Geraniaceae) essential oil: a potent agent against Bacillus subtilis.
PubMed:Characterization of delta-guaiene synthases from cultured cells of Aquilaria, responsible for the formation of the sesquiterpenes in agarwood.
PubMed:Doubly deuterium-labeled patchouli alcohol from cyclization of singly labeled [2-(2)H(1)]farnesyl diphosphate catalyzed by recombinant patchoulol synthase.
PubMed:Chemical composition and antimicrobial activity of the essential oil of Anaphalis nubigena var. monocephala.
PubMed:Extraction and separation of volatile and fixed oils from berries of Laurus nobilis L. by Supercritical CO2.
PubMed:Essential Oil Composition and Antibacterial Studies of Vitex negundo Linn. Extracts.
PubMed:Isolation of cDNAs and functional characterisation of two multi-product terpene synthase enzymes from sandalwood, Santalum album L.
PubMed:Muscodor albus E-6, an endophyte of Guazuma ulmifolia making volatile antibiotics: isolation, characterization and experimental establishment in the host plant.
PubMed:Alpha-bulnesene, a PAF inhibitor isolated from the essential oil of Pogostemon cablin.
PubMed:Syntheses of (+)-alismoxide and (+)-4-epi-alismoxide.
PubMed:Alpha-bulnesene, a novel PAF receptor antagonist isolated from Pogostemon cablin.
PubMed:GC-MS fingerprint of Pogostemon cablin in China.
PubMed:Biotransformation of alpha-bulnesene using a plant pathogenic fungus, Glomerella cingulata as a biocatalyst.
PubMed:Application of multidimensional gas chromatography to the enantioselective characterisation of the essential oil of Eupatorium buniifolium Hooker et Arnott.
PubMed:[Two chemotypes of Pogostemon cablin and influence of region of cultivation and harvesting time on volatile oil composition].
PubMed:[Constituents analysis on volatile oil of Pogostemon cablin from different collection time cultivated in Hainan].
PubMed:[GC-MS analysis of volatile oil of Herba Pogostemonis collected from Leizhou county].
PubMed:[Study on the chemical constituents of the volatile oil from Lysimachia trientaloides Hemsl].
PubMed:Aroma compound analysis of Piper nigrum and Piper guineense essential oils from Cameroon using solid-phase microextraction-gas chromatography, solid-phase microextraction-gas chromatography-mass spectrometry and olfactometry.
PubMed:Synthesis of Hydrazulenes via Zr-Promoted Bicyclization of Enynes and Transition Metal-Catalyzed or Radical Cyclization of Alkenyl Iodides. Efficient Synthesis of (+/-)-7-epi-beta-Bulnesene.
PubMed:Behavioral response of femaleHelicoverpa (Heliothis)armigera HB. (Lepidoptera: Noctuidae) moths to synthetic pigeonpea (Cajanus cajan L.) kairomone.
PubMed:Purification and characterization of the sesquiterpene cyclase patchoulol synthase from Pogostemon cablin.
PubMed:Biosynthesis of the sesquiterpene patchoulol from farnesyl pyrophosphate in leaf extracts of Pogostemon cablin (patchouli): mechanistic considerations.
PubMed:[Sesquiterpene hydrocarbons from grapes (author's transl)].
 
Notes:
Constit. of guaiac wood oil (Bulnesia sarmienti)
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