alpha-gurjunene
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IUPAC name :(2S,4R,7R,8R)-3,3,7,11-tetramethyltricyclo[6.3.0.02.4]undec-1(11)-ene
InChI :InChI=1/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h9,11-12,14H,5-8H2,1-4H3/t9-,11u,12-,14-/m1/s1
InChIKey :SPCXZDDGSGTVAW-XUWDKUNYBY
SMILES :C[C@@H]1CC[C@@H]2[C@@H](C2(C)C)C3=C(CCC13)C
cas number :489-40-7
(EINECS) number :207-695-1
beilstein number :1939514
molar refractivity :64.73 ± 0.4 cm3
parachor :510.6 ± 6.0 cm3
index of refraction :1.512 ± 0.03
surface tension :31.4 ± 5.0 dyne/cm
density :0.94 ± 0.1 g/cm3
polarizability :25.66 ± 0.5 10-24cm3
XlogP : 4.30
molecular weight : 204.3510600
formula :C15 H24
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Sigma-Aldrich-Aldrich :(-)-alpha-gurjunene
purum, ≥97.0% (sum of enantiomers, GC)
organoleptics :
odor type :woody
odor strength :medium
odor description :
at 100.00 %.  		wood balsam
properties :
appearence :colorless clear liquid
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
flash point :> 200.00  °F.  TCC  ( > 93.33 °C. )
logP (o/w) : 6.45
shelf life : 12.00 month(s) or longer if stored properly.
storage :refrigerate in tightly sealed containers.
safety :
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.
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
 
recommendation for alpha-gurjunene usage levels up to :
  8.0000 % in the fragrance concentrate.
safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 (2S,4R,7R,8R)-3,3,7,11-tetramethyltricyclo[6.3.0.02.4]undec-1(11)-ene
(EINECS) number :207-695-1
chemidplus :000489407
EPA Substance Registry Services :489-40-7
references :
 (2S,4R,7R,8R)-3,3,7,11-tetramethyltricyclo[6.3.0.02.4]undec-1(11)-ene
NIST Chemistry WebBook :489407
pubchem :40717346
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
synonyms :
(-)-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
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
para-anisyl phenyl acetate
 benzoin absolute siam
 benzoin resinoid siam
1-benzoyl acetone
laevo-bornyl acetate
 cananga oil
 cananga oil china
 cardamom seed oil
 conifer acetate
 copaiba balsam
 elemi resinoid
 fir needle oil terpeneless
 galbanum absolute
 galbanum resinoid
 guaiacwood oil 20% in gurjun balsam oil
alpha-guaiene
 guaiyl butyrate
 gurjun balsam oil
 hemlock western oil
4-hydroxybenzaldehyde
 juniper berry absolute
 methyl hydrogenated rosinate
 muhuhu wood oil
 myrrh absolute
 myrrh resinoid
 nutmeg absolute
 patchouli oil
(E)-sabinene hydrate
 sandalwood oil
 sandalwood oil west australia
 santalyl butyrate
 tolu balsam absolute
 tolu balsam resinoid
 valerian root oil
 vetiverol
(odor and/or flavor) used in :
 amber
 balsam
 chypre
 oriental
 woody
natural occurrence in :
data pageamyris wood oil @ 1.00%
data pagebay leaf oil @ 0.00-0.13%
data pagebergamot mint oil @ 0.0-<0.1%
data pagecajuput oil @ 0.1%
data pagecedarwood oil lebanon @ >0.10%
data pagecedrela wood oil @ 0.45%
data pagecroton flavens l. (welensali) leaf oil curacao @ 0.80%
data pageeucalyptus globulus bud oil @ trace%
data pageeucalyptus globulus fruit oil @ trace%
data pageeucalyptus globulus oil @ 0.44%
data pageeucalyptus globulus oil burundia @ 0.60%
data pageeucalyptus globulus oil rwanda @ 0.02%
data pageguava fruit oil reunion @ 0.10%
gurjun balsam
data pagehelichrysum arenarium (l.) moench oil hungary @ 0.10%
data pagehyssop oil CO2 extract @ 1.2%
data pagelabdanum leaf oil @ 0.30%
data pagelabdanum oil @ 0.42%
data pagelaurel leaf oil turkey @ <0.10%
data pagelemon verbena oil morocco @ 0.1%
data pagemanuka var. scoparium oil new zealand @ 1.02%
data pagepepper tree berry oil @ 0.71%
data pagepolyalthia australis (benth.) jessup leaf oil australia @ trace%
data pageprotium heptaphyllum (aubl.) march resin oil brazil @ 0.30%
data pagesage oil spain @ 0.0-0.2%
data pagesalvia atropatana bunge oil iran @ 3.10%
data pagesatureja viminea l. oil costa rica @ trace%
data pagespikenard oil @ 0.60%
data pagetea tree oil australia @ 0.45%
data pagezanthoxylum bracchyacanthum l. leaf oil australia @ 0.10%



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