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

alpha-gurjunene
(1aR-(1aalpha,4alpha, 4abeta,7balpha))- 1a,2,3,4,4a,5,6,7b-octahydro-1,1,4,7-tetramethyl-1H-cycloprop(e)azulene

Supplier Sponsors

Name:(2S,4R,7R,8R)-3,3,7,11-tetramethyltricyclo[6.3.0.02.4]undec-1(11)-ene
CAS Number: 489-40-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:207-695-1
Beilstein Number:1939514
MDL:MFCD00043331
XlogP3-AA:4.10 (est)
Molecular Weight:204.35628000
Formula:C15 H24
NMR Predictor:Predict (works with chrome or firefox)
Category: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
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 97.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Boiling Point: 262.00 to 263.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.016000 mm/Hg @ 25.00 °C. (est)
Flash Point:> 200.00 °F. TCC ( > 93.33 °C. )
logP (o/w): 6.386 (est)
Shelf Life: 12.00 month(s) or longer if stored properly.
Storage:refrigerate in tightly sealed containers.
Soluble in:
 alcohol
 water, 0.06382 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: woody
Odor Strength:medium
woody balsamic
Odor Description:at 100.00 %. wood balsam
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
BOC Sciences
For experimental / research use only.
(-)-a-GURJUNENE
Santa Cruz Biotechnology
For experimental / research use only.
(-)-a-Gurjunene
Sigma-Aldrich: Aldrich
For experimental / research use only.
(-)-alpha-gurjunene purum, ≥97.0%
(sum of enantiomers, GC)
Van Aroma
GURJUN BALSAM OIL LIGHT MIN 85% (GURJUNENE TYPE)
Odor: balsamic, woody, earthy
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
None - None found.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
 
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: fragrance agents
Recommendation for alpha-gurjunene usage levels up to:
  8.0000 % in the fragrance concentrate.
 
Recommendation for alpha-gurjunene flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):489-40-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :16213731
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
(2S,4R,7R,8R)-3,3,7,11-tetramethyltricyclo[6.3.0.02.4]undec-1(11)-ene
Chemidplus:0000489407
 
References:
 (2S,4R,7R,8R)-3,3,7,11-tetramethyltricyclo[6.3.0.02.4]undec-1(11)-ene
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:489-40-7
Pubchem (cid):16213731
Pubchem (sid):135048175
Flavornet:489-40-7
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):Search
FooDB:FDB015300
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
(E)-
sabinene hydrate
FL/FR
anisic
anisic
para-
anisyl phenyl acetate
FL/FR
balsamic
siam
benzoin absolute
FL/FR
siam
benzoin resinoid
FL/FR
1-
benzoyl acetone
FL/FR
laevo-
bornyl acetate
FL/FR
brachyleana hutchinsii wood oil
FR
conifer acetate
FR
fir needle oil terpeneless canada
FL/FR
guaiyl butyrate
FR
hemlock western oil (tsuga heterophylla) canada
FR
juniper berry absolute
FL/FR
methyl hydrogenated rosinate
FR
myrrh absolute
FL/FR
myrrh resinoid
FR
tolu balsam absolute
FL/FR
tolu balsam resinoid
FL/FR
floral
cananga oil
FL/FR
cananga oil china
FL/FR
green
galbanum absolute
FL/FR
galbanum resinoid
FL/FR
herbal
valerian rhizome oil
FL/FR
spicy
elettaria cardamomum seed oil
FL/FR
nutmeg absolute
FL/FR
terpenic
elemi resinoid
FL/FR
woody
copaiba balsam
FL/FR
guaiacwood oil 20% in gurjun balsam oil
FR
alpha-
guaiene
FL/FR
gurjun balsam oil
FR
4-
hydroxybenzaldehyde
FL/FR
patchouli oil
FL/FR
sandalwood oil
FL/FR
sandalwood oil west australia (santalum spicatum)
FR
santalyl butyrate
FL/FR
vetiverol
FL/FR
For Flavor
No flavor group found for these
1-
benzoyl acetone
FL/FR
alpha-
guaiene
FL/FR
(E)-
sabinene hydrate
FL/FR
santalyl butyrate
FL/FR
anisic
anisic
para-
anisyl phenyl acetate
FL/FR
balsamic
siam
benzoin resinoid
FL/FR
laevo-
bornyl acetate
FL/FR
fir needle oil terpeneless canada
FL/FR
juniper berry absolute
FL/FR
myrrh absolute
FL/FR
tolu balsam absolute
FL/FR
tolu balsam resinoid
FL/FR
creamy
4-
hydroxybenzaldehyde
FL/FR
floral
cananga oil
FL/FR
cananga oil china
FL/FR
fruity
valerian rhizome oil
FL/FR
green
elemi resinoid
FL/FR
galbanum absolute
FL/FR
galbanum resinoid
FL/FR
spicy
siam
benzoin absolute
FL/FR
elettaria cardamomum seed oil
FL/FR
nutmeg absolute
FL/FR
woody
copaiba balsam
FL/FR
patchouli oil
FL/FR
sandalwood oil
FL/FR
vetiverol
FL/FR
 
Potential Uses:
FRamber
FRbalsam
FRchypre
FRoriental
FRwoody
 
Occurrence (nature, food, other):note
 allspice fruit
Search Trop Picture
 allspice leaf
Search Trop Picture
 allspice leaf oil
Search Trop Picture
 allspice seed
Search Trop Picture
 amyris wood oil @ 1.00%
Data GC Search Trop Picture
 bay laurel leaf
Search Trop Picture
 bay leaf oil @ 0.00-0.13%
Data GC Search Trop Picture
 bergamot mint oil @ 0.0-<0.1%
Data GC Search Trop Picture
 cajuput oil @ 0.1%
Data GC Search Trop Picture
 carrot seed
Search Trop Picture
 cedarwood oil lebanon @ >0.10%
Data GC Search Trop Picture
 cedrela wood oil @ 0.45%
Data GC Search Trop Picture
 croton flavens l. (welensali) leaf oil curacao @ 0.80%
Data GC Search Trop Picture
 eucalyptus globulus bud oil @ trace%
Data GC Search Trop Picture
 eucalyptus globulus fruit oil @ trace%
Data GC Search Trop Picture
 eucalyptus globulus oil @ 0.44%
Data GC Search Trop Picture
 eucalyptus globulus oil burundia @ 0.60%
Data GC Search Trop Picture
 eucalyptus globulus oil rwanda @ 0.02%
Data GC Search Trop Picture
 guava fruit oil reunion @ 0.10%
Data GC Search Trop Picture
 gurjun balsam
Search Trop Picture
 helichrysum arenarium (l.) moench oil hungary @ 0.10%
Data GC Search Trop Picture
 horsemint shoot
Search Trop Picture
 hyssop oil CO2 extract @ 1.2%
Data GC Search Trop Picture
 hyssop shoot
Search Trop Picture
 labdanum leaf oil @ 0.30%
Data GC Search Trop Picture
 labdanum oil @ 0.42%
Data GC Search Trop Picture
 laurel leaf oil turkey @ <0.10%
Data GC Search Trop Picture
 lemon verbena oil morocco @ 0.1%
Data GC Search Trop Picture
 manuka var. scoparium oil new zealand @ 1.02%
Data GC Search Trop Picture
 parsley leaf
Search Trop Picture
 pepper black pepper fruit oil
Search Trop Picture
 pepper black pepper seed oil
Search Trop Picture
 pepper tree berry oil @ 0.71%
Data GC Search Trop Picture
 peppermint oil
Search Trop Picture
 polyalthia australis (benth.) jessup leaf oil australia @ trace%
Data GC Search Trop Picture
 protium heptaphyllum (aubl.) march resin oil brazil @ 0.30%
Data GC Search Trop Picture
 safflower bud
Search Trop Picture
 sage oil spain @ 0.0-0.2%
Data GC Search Trop Picture
 sage plant
Search Trop Picture
 salvia atropatana bunge oil iran @ 3.10%
Data GC Search Trop Picture
 salvia lavandulifolia vahl. leaf oil @ 0.10%
Data GC Search Trop Picture
 satureja viminea l. oil costa rica @ trace%
Data GC Search Trop Picture
 spikenard oil @ 0.60%
Data GC Search Trop Picture
 tea tree oil australia @ 0.45%
Data GC Search Trop Picture
 water mint shoot
Search Trop Picture
 zanthoxylum bracchyacanthum l. leaf oil australia @ 0.10%
Data GC Search Trop Picture
 
Synonyms:
(-)-a-gurjunene
(-)-alpha-gurjunene
alpha-gurjunene
(1aR-(1aalpha,4alpha, 4abeta,7balpha))- 1a,2,3,4,4a,5,6,7b-octahydro-1,1,4,7-tetramethyl-1H-cycloprop(e)azulene
 octahydrotetramethyl cyclopropazulene
(2S,4R,7R,8R)- 3,3,7,11-tetramethyl tricyclo(6.3.0.02.4)undec-1(11)-ene
(2S,4R,7R,8R)-3,3,7,11-tetramethyltricyclo[6.3.0.02.4]undec-1(11)-ene
 

Articles:

PubMed:Assessment of Volatile Chemical Composition of the Essential Oil of Jatropha ribifolia (Pohl) Baill by HS-SPME-GC-MS Using Different Fibers.
PubMed:Antimicrobial Potential and Chemical Characterization of Serbian Liverwort (Porella arboris-vitae): SEM and TEM Observations.
PubMed:Essential oil composition and larvicidal activity of Toddalia asiatica roots against the mosquito Aedes albopictus (Diptera: Culicidae).
PubMed:Differences in the volatile compositions of ginseng species (Panax sp.).
PubMed:Constituents and antimicrobial activity of the essential oils from flower, leaf and stem of Helichrysum armenium.
PubMed:Volatile compounds in the stem bark of Sclerocarya birrea (Anacardiaceae) possess antimicrobial activity against drug-resistant strains of Helicobacter pylori.
PubMed:[Microscopic anatomy and volatile secondary metabolites at three stages of development of the inflorescences of Lantana camara (Verbenaceae)].
PubMed:Terpenoid compositions and antioxidant activities of two Indian valerian oils from the Khasi Hills of north-east India.
PubMed:Persistency assessment and aerobic biodegradation of selected cyclic sesquiterpenes present in essential oils.
PubMed:Chemical composition and antimicrobial activity of the essential oil of Anaphalis nubigena var. monocephala.
PubMed:Sedative effects of vapor inhalation of agarwood oil and spikenard extract and identification of their active components.
PubMed:Chemical composition and larvicidal properties of the essential oils from Drimys brasiliensis Miers (Winteraceae) on the cattle tick Rhipicephalus (Boophilus) microplus and the brown dog tick Rhipicephalus sanguineus.
PubMed:Determination of Teucrium chamaedrys volatiles by using direct thermal desorption-comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry.
PubMed:[Studies on the chemical constituents of essential oil from roots and rhizomes of Patrinia rupestris].
PubMed:Chemical analysis and antifungal activity of the essential oil of Calea clematidea.
PubMed:[New data on composition of esssential oil from inflorescence of everlasting (Helichrysum arenarium(L.) Moench.)].
PubMed:Isolation, characterization, and mechanistic studies of (-)-alpha-gurjunene synthase from Solidago canadensis.
PubMed:C(15)H(24) Volatile Compounds Unique to Aflatoxigenic Strains of Aspergillus flavus.
PubMed:Identification and preparation of antiinsectan dienols fromDipterocarpus kerrii tree resins.
PubMed:Defensive sesquiterpenoids from a dipterocarp (Dipterocarpus kerrii).
PubMed:Volatile Constituents of Artemisia nilagirica.
 
Notes:
None found
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