alpha-guaiene
guaia-1(5),11-diene
 
Notes:
Constit. of guaiac wood oil (Bulnesia sarmienti)
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CAS Number: 3691-12-1Picture of molecule3D/inchi
Nikkaji Web: J20.860D
CoE Number: 11003
XlogP3-AA: 4.60 (est)
Molecular Weight: 204.35628000
Formula: C15 H24
NMR Predictor: Predict (works with chrome or firefox)
EFSA/JECFA Comments: No longer supported by Industry (DG SANCO, 2012).
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: 01.023 (Old)
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Physical Properties:
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.89700 to 0.90300 @  25.00 °C.
Pounds per Gallon - (est).: 7.464 to  7.514
Refractive Index: 1.49300 to 1.49900 @  20.00 °C.
Boiling Point: 281.00 to  282.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.006000 mmHg @ 25.00 °C. (est)
Flash Point: 232.00 °F. TCC ( 111.11 °C. )
logP (o/w): 6.602 (est)
Soluble in:
 alcohol
 water, 0.02127 mg/L @ 25 °C (est)
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Organoleptic Properties:
 
Odor Type: woody
 
Odor Strength: medium
 
 sweet  woody  balsamic  peppery  
Odor Description:
at 100.00 %. 
sweet woody balsam peppery
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the CSA
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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
Recommendation for alpha-guaiene usage levels up to:
  2.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 1.20 (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
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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
EPA Substance Registry Services (TSCA): 3691-12-1
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 107152
National Institute of Allergy and Infectious Diseases: Data
 1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydroazulene
Chemidplus: 0003691121
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References:
 1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydroazulene
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 3691-12-1
Pubchem (cid): 107152
Pubchem (sid): 135063688
Flavornet: 3691-12-1
Pherobase: View
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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): HMDB36003
FooDB: FDB014813
Typical G.C.
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Wikipedia: View
RSC Learn Chemistry: View
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Potential Blenders and core components note
 
For Odor
No odor group found for these
 eremophila mitchelli wood oil australiaFR
balsamic
 amyris wood oilFL/FR
 amyris wood oil replacerFR
 balsam fir oleoresinFL/FR
siam benzoin resinFL/FR
siam benzoin resinoidFL/FR
 benzoin resinoid replacerFR
laevo-bornyl acetateFL/FR
 brachyleana hutchinsii wood oilFR
 callitropsis araucarioides wood oilFR
 cistus leaf oilFR
 conifer acetateFR
 copaifera reticulata extractFL/FR
 croton glabellus bark extractFL/FR
 fir balsam absolute (abies balsamea)FR
 fir needle oil canadaFL/FR
 fir needle oil terpeneless canadaFL/FR
 guaiyl butyrateFR
 gurjun balsamFR
 hemlock western oil (tsuga heterophylla) canadaFR
 juniper absoluteFL/FR
 juniper berry absoluteFL/FR
 juniper berry oil CO2 extractFL/FR
 methyl hydrogenated rosinateFR
 myrrh absoluteFL/FR
 myrrh gumFL/FR
 myrrh resinFL/FR
 myrrh resinoidFR
 myrrh resinoid replacerFR
 opoponax absolute (commiphora erythraea var. glabrescens engle)FL/FR
 opoponax absolute replacerFR
 opoponax resinoid (commiphora erythraea var. glabrescens engle)FR
 opoponax resinoid replacerFR
 peru balsam absoluteFL/FR
scotch pine wood/needles resinoidFR
 pistacia lentiscus gum waterFR
 styrax specialityFR
 tolu balsam resinFL/FR
 valeriana wallichii root oilFR
citrus
 elemi oil replacerFR
fir needle
 abies amabilis oil canadaFR
floral
 cananga oilFL/FR
 cananga oil chinaFL/FR
 eucalyptus macarthurii oilFR
 gardenia pentyl acetateFR
beta-ionolFL/FR
 rose absolute (rosa centifolia) moroccoFL/FR
fruity
 fruity butanateFR
garlic
4-methyl-2-(1-propenyl)-1,3-oxathiane 
green
holy basil leaf oilFL/FR
 elemi specialtyFR
 galbanum oilFL/FR
 galbanum oil replacerFR
 galbanum oleoresinFL/FR
 galbanum resinoidFL/FR
 valerian rhizome oil CO2 extract chinaFL/FR
herbal
 artemisia vestita wall. leaf oilFR
 calendula officinalis flower oil CO2 extractFR
 camphor wood oil decamphorisedFR
 cananga fruit oilFR
 canarium luzonicum gumFL/FR
 canarium luzonicum oilFL/FR
 chamomile absoluteFL/FR
 elemi resinoid replacerFR
 lavender oil australiaFL/FR
 marigold pot flower oilFL/FR
 rosemary absoluteFL/FR
 rosemary oilFL/FR
 rosemary oil africaFL/FR
 rosemary oil moroccoFL/FR
 rosemary oil replacerFR
 rosemary oil spainFL/FR
 rosemary oil tunisiaFL/FR
green tea leaf absoluteFL/FR
 valerian rhizome oilFL/FR
 valerian rhizome oil chinaFL/FR
nutty
 sesame absoluteFL/FR
 sesame absolute CO2 extractFL/FR
pine
 abies sibirica needle extractFR
white pine bark oilFL/FR
 pine specialtyFR
smoky
 boswellia serrata wood tar oilFR
spicy
 cananga leaf oilFR
 cardamom oil replacerFR
 cinnamomum culilawan bark oilFR
 clove bud oilFL/FR
 clove bud oil replacerFR
 clove leaf oilFL/FR
 elettaria cardamomum seed oil guatemalaFL/FR
 myrceneFR
 myristica fragrans fruit extractFL/FR
 myristica fragrans seed tinctureFL/FR
 myristicinFR
 nutmeg absoluteFL/FR
terpenic
 elemi resinoidFL/FR
 pine needle oil dwarfFL/FR
 turpentine oilFL/FR
tonka
 tonka undecanoneFR
woody
 agarwood oilFR
 agarwood oil CO2 extractFR
 agarwood specialtyFR
 bulnesia sarmienti extractFR
 callitris columellaris wood oil australiaFR
 cedanolFR
 cedarwood acetateFR
 cedarwood oil texas fractionsFR
 cistus twig/leaf absoluteFR
 copaiba balsamFL/FR
 eremophila mitchelli wood oil CO2 extractFR
 kaempferia galanga rhizome oilFL/FR
isopinocarveol 
laevo-pinocarveol 
 sandal cyclohexanolFR
 sandal hexanolFR
(R)-sandal hexanolFR
 sandalwood oilFL/FR
 sandalwood oil CO2 extractFL/FR
 sandalwood oil replacerFR
 sandalwood oil west australiaFL/FR
 sandalwood oil west australia (santalum spicatum)FR
 santallFR
 santalum paniculatum wood oilFR
 santalyl butyrateFL/FR
 siam wood oilFR
2,6,10,10-tetramethyl-1-oxa-spiro[4.5]dec-3-ene-6-ol 
 vetiver oil bourbonFL/FR
 vetiver oil brazilFL/FR
 vetiver oil chinaFL/FR
 vetiver oil indiaFL/FR
 vetiverolFL/FR
(Z)-woody amyleneFR
 
For Flavor
 
No flavor group found for these
 balsam fir oleoresinFL/FR
holy basil leaf oilFL/FR
 croton glabellus bark extractFL/FR
 fir needle oil canadaFL/FR
 juniper absoluteFL/FR
 marigold pot flower oilFL/FR
4-methyl-2-(1-propenyl)-1,3-oxathiane 
white pine bark oilFL/FR
laevo-pinocarveol 
isopinocarveol 
 sandalwood oil west australiaFL/FR
 santalyl butyrateFL/FR
2,6,10,10-tetramethyl-1-oxa-spiro[4.5]dec-3-ene-6-ol 
 turpentine oilFL/FR
balsamic
siam benzoin resinFL/FR
siam benzoin resinoidFL/FR
laevo-bornyl acetateFL/FR
 copaifera reticulata extractFL/FR
 fir needle oil terpeneless canadaFL/FR
 juniper berry absoluteFL/FR
 juniper berry oil CO2 extractFL/FR
 myrrh absoluteFL/FR
 myrrh gumFL/FR
 myrrh resinFL/FR
 opoponax absolute (commiphora erythraea var. glabrescens engle)FL/FR
 peru balsam absoluteFL/FR
 tolu balsam resinFL/FR
camphoreous
 kaempferia galanga rhizome oilFL/FR
 rosemary oil tunisiaFL/FR
floral
 cananga oilFL/FR
 cananga oil chinaFL/FR
beta-ionolFL/FR
 rose absolute (rosa centifolia) moroccoFL/FR
 valerian rhizome oilFL/FR
 valerian rhizome oil chinaFL/FR
 valerian rhizome oil CO2 extract chinaFL/FR
green
 canarium luzonicum gumFL/FR
 canarium luzonicum oilFL/FR
 elemi resinoidFL/FR
 galbanum oilFL/FR
 galbanum oleoresinFL/FR
 galbanum resinoidFL/FR
herbal
 chamomile absoluteFL/FR
 lavender oil australiaFL/FR
 rosemary absoluteFL/FR
 rosemary oilFL/FR
 rosemary oil africaFL/FR
 rosemary oil moroccoFL/FR
 rosemary oil spainFL/FR
nutty
 sesame absoluteFL/FR
 sesame absolute CO2 extractFL/FR
pine
 pine needle oil dwarfFL/FR
spicy
 clove bud oilFL/FR
 clove leaf oilFL/FR
 elettaria cardamomum seed oil guatemalaFL/FR
 myristica fragrans fruit extractFL/FR
 myristica fragrans seed tinctureFL/FR
 nutmeg absoluteFL/FR
tea
green tea leaf absoluteFL/FR
woody
 amyris wood oilFL/FR
 copaiba balsamFL/FR
 sandalwood oilFL/FR
 sandalwood oil CO2 extractFL/FR
 vetiver oil bourbonFL/FR
 vetiver oil brazilFL/FR
 vetiver oil chinaFL/FR
 vetiver oil indiaFL/FR
 vetiverolFL/FR
 
Synonyms   Articles   Notes   Search   Top
Potential Uses:
 guaiacwoodFL/FR
Synonyms   Articles   Notes   Search   Top
Occurrence (nature, food, other): note
 agarwood oil @ 0.10%
Data  GC  Search  PMC Picture
 armoise oil morocco @ 3.1%
Data  GC  Search Trop  Picture
 basil - trace
Search Trop  Picture
 basil absolute sweet @ 0.20%
Data  GC  Search Trop  Picture
 basil plant
Search Trop  Picture
 basil shoot oil
Search Trop  Picture
 bay laurel leaf
Search Trop  Picture
 bay laurel leaf oil
Search Trop  Picture
 burdock root
Search Trop  Picture
 callitris intratropica wood oil australia @ 0.60%
Data  GC  Search Trop  Picture
 cassinia laevis flower oil australia @ 0.30%
Data  GC  Search Trop  Picture
 cassinia laevis leaf oil australia @ 0.50%
Data  GC  Search Trop  Picture
 eucalyptus globulus bud oil @ 0.29%
Data  GC  Search Trop  Picture
 eucalyptus globulus fruit oil @ 0.39%
Data  GC  Search Trop  Picture
 galangal root oil @ 0.72%
Data  GC  Search Trop  Picture
 geranium oil rwanda @ 0.45%
Data  GC  Search Trop  Picture
 geranium rose-scented oil (pelargonium spp.) cuba @ 7.20%
Data  GC  Search Trop  Picture
 hinoki root oil @ 0.39%
Data  GC  Search Trop  Picture
 hinoki wood oil @ 0.12%
Data  GC  Search Trop  Picture
 laurel leaf oil turkey @ 0.10%
Data  GC  Search Trop  Picture
 mandarin oil uruguay @ trace%
Data  GC  Search Trop  Picture
 mango fruit - 1.5 mg/kg
Search Trop  Picture
 orange bigarade oil @ 0.42%
Data  GC  Search  Picture
 patchouli oil china @ 8.82%
Data  GC  Search Trop  Picture
 pepper - trace
Search  PMC Picture
 pepper black pepper fruit
Search Trop  Picture
 pepper black pepper fruit oil
Search Trop  Picture
 pepper oil black india @ 0.10%
Data  GC  Search Trop  Picture
 pinus sylvestris l. needle oil estonia @ 0.10%
Data  GC  Search Trop  Picture
 ravintsara leaf oil @ 0.37%%
Data  GC  Search  Picture
 rose oil otto bulgaria @ 0.50%
Data  GC  Search Trop  Picture
 sage oil dalmatian @ 0.10%
Data  GC  Search Trop  Picture
 wormseed oil spain @ 0.24%
Data  GC  Search Trop  Picture
 wormwood oil annus france @ 2.24-14.73%
Data  GC  Search Trop  Picture
Synonyms   Articles   Notes   Search   Top
Synonyms:
 azulene, 1,2,3,4,5,6,7,8-octahydro-1,4-dimethyl-7-(1-methylethenyl)-, [1S-(1a,4a,7a)]-
2,8-dimethyl-5-isopropenyl bicyclo(5.3.0)dec-1(7)-ene
1,4-dimethyl-7-(prop-1-en-2-yl)-1,2,3,4,5,6,7,8-octahydroazulene
1,4-dimethyl-7-isopropenyl-delta-9,10-octahydroazulene
1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydroazulene
 guaia-1(5),11-diene
1(5),11-guaiadiene
(-)-alpha-guaiene
a-guaiene
(1S-(1.alpha.,4.alpha.,7.alpha.))- 1,2,3,4,5,6,7,8-octahydro-1,4-dimethyl-7-(1-methyl ethenyl) azulene
(1S,4S,7R)- 1,2,3,4,5,6,7,8-octahydro-1,4-dimethyl-7-(1-methyl ethenyl) azulene
Synonyms   Articles   Notes   Search   Top
Articles:
PubMed: [Study of production of sesquiterpenes of Aquilaria senensis stimulated by Lasiodiplodia theobromae].
PubMed: [Analysis of volatile composition of different specification of Panax notoginseng].
PubMed: Isolation and characterization of terpene synthases in cotton (Gossypium hirsutum).
PubMed: Insecticidal and repellence activity of the essential oil of Pogostemon cablin against urban ants species.
PubMed: Virtual screening of compounds from the patchouli oil of Pogostemon herba for COX-1 inhibition.
PubMed: Quantitative and physical evaluation of patchouli essential oils obtained from different sources of Pogostemon cablin.
PubMed: Chemical constituents, antioxidant and antimocrobial activity of essential oil of Pogostemon paniculatus (Willd.).
PubMed: Chemical diversity in the essential oil of Indian valerian (Valeriana jatamansi Jones).
PubMed: Genomic organization of δ-guaiene synthase genes in Aquilaria crassna and its possible use for the identification of Aquilaria species.
PubMed: Chemical composition of volatile oils of Aquilaria malaccensis (Thymelaeaceae) from Malaysia.
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: The main chemical composition and in vitro antifungal activity of the essential oils of Ocimum basilicum Linn. var. pilosum (Willd.) Benth.
PubMed: Essential Oil Composition and Antibacterial Studies of Vitex negundo Linn. Extracts.
PubMed: Alpha-bulnesene, a PAF inhibitor isolated from the essential oil of Pogostemon cablin.
PubMed: GC-MS fingerprint of Pogostemon cablin in China.
PubMed: Secondary metabolites of Peucedanum tauricum fruits.
PubMed: [Two chemotypes of Pogostemon cablin and influence of region of cultivation and harvesting time on volatile oil composition].
PubMed: Essential oil from fruit of Peucedanum tauricum Bieb.
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: [GC-MS analysis of volatile oil of herba Pogostemonis collected from Gaoyao county].
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: Advantages of soxflo extractions for phytochemical analysis and bioassay screening. 1. Terpenoids.
PubMed: Phytotoxicity and volatile constituents from leaves of Callicarpa japonica Thunb.
PubMed: Constituents of peppers: IV. The hydrocarbons of pepper essential oil.
PubMed: [Sesquiterpene hydrocarbons from grapes (author's transl)].
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