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

alpha-guaiene
guaia-1(5),11-diene

Sponsors

Name:1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydroazulene
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)
 
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 mm/Hg @ 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)
 
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).
 
Cosmetic Information:
None found
 
Suppliers:
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-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
 
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
 
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
 
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
 
Potential Blenders and core components note
For Odor
No odor group found for these
eremophila mitchelli wood oil australia
FR
balsamic
balsamic
amyris wood oil
FL/FR
balsam fir oleoresin
FL/FR
siam
benzoin resin
FL/FR
siam
benzoin resinoid
FL/FR
laevo-
bornyl acetate
FL/FR
brachyleana hutchinsii wood oil
FR
callitropsis araucarioides wood oil
FR
cistus leaf oil
FR
conifer acetate
FR
copaifera reticulata extract
FL/FR
croton glabellus bark extract
FL/FR
fir balsam absolute (abies balsamea)
FR
fir needle oil canada
FL/FR
fir needle oil terpeneless canada
FL/FR
guaiyl butyrate
FR
gurjun balsam
FR
hemlock western oil (tsuga heterophylla) canada
FR
juniper absolute
FL/FR
juniper berry absolute
FL/FR
juniper berry oil CO2 extract
FL/FR
methyl hydrogenated rosinate
FR
myrrh absolute
FL/FR
myrrh gum
FL/FR
myrrh resin
FL/FR
myrrh resinoid
FR
opoponax absolute (commiphora erythraea var. glabrescens engle)
FL/FR
opoponax resinoid (commiphora erythraea var. glabrescens engle)
FR
peru balsam absolute
FL/FR
scotch
pine wood/needles resinoid
FR
pistacia lentiscus gum water
FR
styrax speciality
FR
tolu balsam resin
FL/FR
valeriana wallichii root oil
FR
fir needle
abies amabilis oil canada
FR
floral
cananga oil
FL/FR
cananga oil china
FL/FR
eucalyptus macarthurii oil
FR
beta-
ionol
FL/FR
rose absolute (rosa centifolia) morocco
FL/FR
fruity
fruity butanate
FR
green
galbanum oleoresin
FL/FR
galbanum resinoid
FL/FR
valerian rhizome oil CO2 extract china
FL/FR
herbal
artemisia vestita wall. leaf oil
FR
calendula officinalis flower oil CO2 extract
FR
cananga fruit oil
FR
canarium luzonicum gum
FL/FR
canarium luzonicum oil
FL/FR
elemi resinoid
FL/FR
marigold pot flower oil
FL/FR
rosemary absolute
FL/FR
rosemary oil
FL/FR
rosemary oil africa
FL/FR
rosemary oil morocco
FL/FR
rosemary oil spain
FL/FR
rosemary oil tunisia
FL/FR
green
tea leaf absolute
FL/FR
valerian rhizome oil
FL/FR
valerian rhizome oil china
FL/FR
nutty
sesame absolute
FL/FR
sesame absolute CO2 extract
FL/FR
pine
abies sibirica needle extract
FR
white
pine bark oil
FL/FR
pine specialty
FR
smoky
boswellia serrata wood tar oil
FR
spicy
cananga leaf oil
FR
cinnamomum culilawan bark oil
FR
clove bud oil
FL/FR
elettaria cardamomum seed oil guatemala
FL/FR
myrcene
FR
myristica fragrans fruit extract
FL/FR
myristica fragrans seed tincture
FL/FR
nutmeg absolute
FL/FR
terpenic
pine needle oil dwarf
FL/FR
turpentine oil
FL/FR
tonka
tonka undecanone
FR
woody
agarwood oil
FR
agarwood oil CO2 extract
FR
agarwood specialty
FR
bulnesia sarmienti extract
FR
cedarwood oil texas fractions
FR
cistus twig/leaf absolute
FR
copaiba balsam
FL/FR
kaempferia galanga rhizome oil
FL/FR
sandal cyclohexanol
FR
sandal hexanol
FR
(R)-
sandal hexanol
FR
sandalwood oil
FL/FR
sandalwood oil CO2 extract
FL/FR
sandalwood oil west australia
FL/FR
sandalwood oil west australia (santalum spicata)
FR
santall
FR
santalum paniculatum wood oil
FR
santalyl butyrate
FL/FR
siam wood oil
FR
vetiver oil bourbon
FL/FR
vetiver oil brazil
FL/FR
vetiver oil china
FL/FR
vetiver oil india
FL/FR
vetiverol
FL/FR
(Z)-
woody amylene
FR
For Flavor
No flavor group found for these
balsam fir oleoresin
FL/FR
croton glabellus bark extract
FL/FR
fir needle oil canada
FL/FR
juniper absolute
FL/FR
marigold pot flower oil
FL/FR
white
pine bark oil
FL/FR
sandalwood oil west australia
FL/FR
santalyl butyrate
FL/FR
turpentine oil
FL/FR
balsamic
balsamic
siam
benzoin resin
FL/FR
siam
benzoin resinoid
FL/FR
laevo-
bornyl acetate
FL/FR
copaifera reticulata extract
FL/FR
fir needle oil terpeneless canada
FL/FR
juniper berry absolute
FL/FR
juniper berry oil CO2 extract
FL/FR
myrrh absolute
FL/FR
myrrh gum
FL/FR
myrrh resin
FL/FR
opoponax absolute (commiphora erythraea var. glabrescens engle)
FL/FR
peru balsam absolute
FL/FR
tolu balsam resin
FL/FR
camphoreous
kaempferia galanga rhizome oil
FL/FR
rosemary oil tunisia
FL/FR
floral
cananga oil
FL/FR
cananga oil china
FL/FR
beta-
ionol
FL/FR
rose absolute (rosa centifolia) morocco
FL/FR
fruity
valerian rhizome oil
FL/FR
valerian rhizome oil china
FL/FR
valerian rhizome oil CO2 extract china
FL/FR
green
canarium luzonicum gum
FL/FR
canarium luzonicum oil
FL/FR
elemi resinoid
FL/FR
galbanum oleoresin
FL/FR
galbanum resinoid
FL/FR
herbal
rosemary absolute
FL/FR
rosemary oil
FL/FR
rosemary oil africa
FL/FR
rosemary oil morocco
FL/FR
rosemary oil spain
FL/FR
nutty
sesame absolute
FL/FR
sesame absolute CO2 extract
FL/FR
pine
pine needle oil dwarf
FL/FR
spicy
clove bud oil
FL/FR
elettaria cardamomum seed oil guatemala
FL/FR
myristica fragrans fruit extract
FL/FR
myristica fragrans seed tincture
FL/FR
nutmeg absolute
FL/FR
tea
green
tea leaf absolute
FL/FR
woody
amyris wood oil
FL/FR
copaiba balsam
FL/FR
sandalwood oil
FL/FR
sandalwood oil CO2 extract
FL/FR
vetiver oil bourbon
FL/FR
vetiver oil brazil
FL/FR
vetiver oil china
FL/FR
vetiver oil india
FL/FR
vetiverol
FL/FR
 
Potential Uses:
FL/FRguaiacwood
 
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:
 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
 

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)].
 
Notes:
Constit. of guaiac wood oil (Bulnesia sarmienti)
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