alpha-thujene
organoleptics  properties  safety  references    Home Page
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :4-methyl-1-propan-2-ylbicyclo[3.1.0]hex-3-ene
InChI :InChI=1/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h4,7,9H,5-6H2,1-3H3
InChIKey :KQAZVFVOEIRWHN-UHFFFAOYAO
SMILES :CC1=CCC2(C1C2)C(C)C
cas number :2867-05-2
(EINECS) number :220-686-7
molar refractivity :43.79 ± 0.3 cm3
parachor :347.5 ± 6.0 cm3
index of refraction :1.513 ± 0.02
surface tension :32.4 ± 3.0 dyne/cm
density :0.935 ± 0.06 g/cm3
polarizability :17.36 ± 0.5 10-24cm3
XlogP : 4.20
molecular weight : 136.2340400
formula :C10 H16
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
organoleptics :
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  		woody green herb
properties :
appearence :colorless clear liquid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 150.00 to 152.00 °C. @ 760.00 mm Hg
flash point : 92.00  °F.  TCC  ( 33.33 °C. )
logP (o/w) : 4.61
safety :
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
 
recommendation for alpha-thujene usage levels up to :
  0.8000 % in the fragrance concentrate.
safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
 
 
 4-methyl-1-propan-2-ylbicyclo[3.1.0]hex-3-ene
(EINECS) number :220-686-7
chemidplus :002867052
EPA Substance Registry Services :2867-05-2
references :
 4-methyl-1-propan-2-ylbicyclo[3.1.0]hex-3-ene
NIST Chemistry WebBook :969428387
pubchem :160985
other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
4-methyl-1-propan-2-ylbicyclo[3.1.0]hex-3-ene
2-methyl-5-(1-methyl ethyl) bicyclo(3.1.0)hex-2-ene
 origanene
5-isopropyl-2-methyl bicyclo(3.1.0)hex-2-ene
3-thujene
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
6-acetoxydihydrotheaspirane
alpha-amyl cinnamyl formate
isoamyl salicylate
 anise indene
 apple ketal
 basil absolute sweet
3-benzyl-4-heptanone
 bergoxane
 bicyclogermacrene
 birch bud oil
isoborneol
 bornyl 2-methyl butyrate
isobornyl acetate
 bornyl butyrate
 bornyl salicylate
beta-bourbonene
isobutyl angelate
isobutyl heptanoate
isobutyl methyl ketone
isobutyl quinoline
2-sec-butyl thiazole
4-butyl thiazole
beta-cadinene
delta-cadinene
gamma-cadinene
alpha-cadinol
 cajuput oil vietnam
 camphene
(+)-camphene
alpha-campholenic aldehyde
dextro-camphor
 chamomile oil
 cinnamon acrolein
 cinnamyl formate
 cistus oil
 coriander oleoresin
(-)-cubenol
 cuminaldehyde
 currant bud absolute black
isocyclocitral
isocyclogeraniol
isodecyl acetate
8,9-dehydrotheaspirone
isodihydrolavandulal
 dihydrorose oxide
 dill weed oil
 dill weed oil reunion
 dimethyl benzyl carbinyl butyrate
 dimethyl benzyl carbinyl formate
2,4-dimethyl-3-cyclohexene-1-methanol
 dipentene terpene hydrocarbon byproducts
 elemi oil
alpha-elemol
 estragole
 ethyl 4-pentenoate
beta-eudesmol
isoeugenyl formate
 fig leaf absolute
 fir balsam absolute
 fresh nitrile
 galbanum oil
 galbanum oleoresin
 galbanum resinoid
 geranium oil africa
 geranium oil egypt
 green acetate
 heptanal
 heptanol
 herbal cyclohexane
 herbal dioxane
 herbal heptane
 herbal undecanone
(E,E)-2,4-hexadien-1-ol
(E)-4-hexen-1-ol
(Z)-4-hexen-1-ol
3-hexen-1-yl 2-methyl butyrate
(E)-2-hexen-1-yl salicylate
 hexyl hexanoate
 hop absolute
 hop oil
6-hydroxydihydrotheaspirane (mixture of isomers)
 immortelle flower oil
 ivy leaf absolute
(Z)-jasmone
 karo karounde absolute
 lavender oil france
 lavender oil greece
 linalool
 linalyl formate
 linalyl octanoate
 marigold oil mexico
 marine formate
2-methyl butyl salicylate
 methyl hexyl ketone
para-methyl hydratropaldehyde
1-methyl pyrrole
(E)-6-methyl-3-hepten-2-one
6-methyl-3-hepten-2-one
alpha-methylene citronellal
gamma-muurolene
 neroli ketone
 neryl formate
(Z)-6-nonen-1-al
 nonisyl formate
 nonisyl propionate
 oakmoss absolute
 oakmoss concrete
beta-ocimene
 octanal propylene glycol acetal
2-octanol
(E)-2-octen-1-al
3-octen-1-yl acetate
3-octyl acetate
 orange leaf absolute
 origanum oil
 origanum oil turkey
 parsley leaf oil
 parsley leaf oil egypt
 patchouli indene
 peanut oxazole
 pennyroyal oil
2-pentyl cyclopentanone
 perillaldehyde
 petitgrain bigarade oil
isophorone
isophytol
 polylimonene
 prenyl salicylate
2-propyl thiazole
4-isopropyl-2-cyclohexenone
isopulegol
 reseda absolute
 rose pyran
 seaweed absolute
 spruce needle absolute
 spruce oil
 tagete flower oil rwanda
 tagete oil
 tagete oil CO2 extract
 tansy leaf oil dutch
 tea leaf absolute
 terpinyl propionate
 theaspirane
 thyme absolute
 thyme oil wild or creeping
 timber dioxolane
 treemoss absolute
 tricyclo(5.2.1.02,6)dec-3-enyl acetate
 tricyclodecenyl propionate
 tricyclodecyl acetate
 tropical indene
 valerian absolute
 valerian root oil
 valerian root oil china
 valerian root oil CO2 extract china
 viridiflorol
 woody ketone
 wormwood oil
 wormwood oil cuba
 wormwood oil italy
 wormwood oil poland
natural occurrence in :
data pageajowan seed oil turkey @ 0.20%
data pageangelica root oil @ 0.13%
data pageangelica seed oil CO2 extract @ trace%
data pagearmoise oil morocco @ 0.1%
data pageartemisia santolina schrenk oil iran @ 0.20%
data pageayou wood oil @ trace%
data pagebasil oil var. glabratum turkey @ trace%
data pagebay leaf oil @ 0.0-<0.1%
data pagebergamot oil @ 0.187-0.491%
bergamot plant wild
data pagebetel leaf oil @ 1.90%
data pageblood orange oil (citrus sinensis l. var. sanguinello) italy @ 0.004%
data pageblood orange oil (citrus sinensis l. var. tarocco) italy @ 0.003%
data pageblood orange oil italy @ 0.005%
data pageboldo leaf oil italy @ 0.06%
data pageboldus leaf oil chile @ 0.03%
data pagecajuput oil @ 0.2%
data pagecananga fruit oil @ 2.8%
data pagecarrot seed oil spain @ 0.03-0.12%
data pagecarrot weed oil @ 1.06%
data pagecascarilla bark oil @ 2.11%
data pagecassis bud oil @ trace-1.90%
data pagecedarleaf oil canada @ 0.13-0.32%
data pagecinnamomum fragrans baillon leaf oil madagascar @ 1.00%
data pagecinnamomum fragrans baillon leaf oil madagascar @ 1.90%
data pagecinnamon leaf oil ceylon @ 0.03%
data pagecinnamon oil CO2 extract @ 0.01-0.08%
data pagecitronella oil ceylon @ 0.02%
data pagecoriander seed oil @ <0.10%
data pagecrithmum maritimum l. oil turkey @ 0.30%
data pagecroton cajucara benth. leaf oil brazil @ trace%
data pagecroton flavens l. (welensali) leaf oil curacao @ 0.30%
data pagecumin seed oil egypt @ 0.28%
data pagecurry fruit oil india @ 0.20%
data pagecurry leaf oil india @ 0.10%
data pagedill weed oil cuba @ 1.06%
data pagedill weed oil reunion @ 0.30%
data pageechinophora cinerea oil iran @ 0.20%
data pageelyonurus muticus (sprengel) o.kuntze leaf oil brazil @ 0.50%
data pageeucalyptus camaldulensis dehn. leaf oil jerusalem @ 1.30%
data pageeucalyptus camaldulensis dehnh. leaf oil ethiopia @ 0.50%
data pageeucalyptus deaneti maiden leaf oil ethiopia @ 0.30%
data pageeucalyptus globulus bud oil @ 11.95%
data pageeucalyptus globulus oil rwanda @ 0.03%
data pageeucalyptus nitens (deane et maiden) maiden leaf oil ethiopia @ 3.00%
data pagefeatherfew leaf oil @ 0.70%
data pagefeverfew flower oil @ 0.2%
data pagefeverfew leaf oil belgium @ 0.6%
data pagefir needle oil canada @ 0.00-0.21%
data pagefrankincense oil somalia @ 1.40%
data pagegalangal root oil @ 0.09%
data pageginger root oil CO2 extract australia @ 0.93%
data pagegrapefruit oil c.p. @ trace%
data pagegrapefruit oil c.p. @ trace%
data pagegrapefruit oil c.p. @ trace%
data pagegrapefruit oil c.p. italy @ trace%
data pagegrapefruit oil c.p. russia @ 0.02%
data pagegrapefruit oil c.p. russia @ 0.03%
data pagegrapefruit oil c.p. russia @ 0.03%
data pagegrapefruit oil c.p. russia @ 0.59%
data pagegrapefruit oil CO2 extract @ 0.02%
data pageho leaf oil @ 0.07%
data pagehyptis spicigera lam. oil mali @ 0.10-0.20%
data pagehyptis suaveolens (l.) poit. oil mali @ trace-0.10%
data pagehyssop oil CO2 extract @ trace%
data pagejuniper berry oil @ 0.70%
data pagejuniper berry oil CO2 extract @ 3.60%
data pagejuniper branch oil @ 1.30%
data pagekewda oil @ 0.10-0.33%
data pagelaurel berry oil @ 0.3%
data pagelaurel leaf oil turkey @ 0.60%
data pagelavandin oil abrialis @ 0.07%
data pagelavandin oil grosso @ 0.12%
lavender oil
data pagelavender oil @ 1.53%
data pagelavender oil CO2 extract france @ trace%
data pagelavender oil france @ trace%
data pagelavender oil greece @ 0.03%
data pagelavender oil spike spain @ 0.02%
data pagelemon oil california @ 0.38%
data pagelemon oil expressed italy @ 0.43%
data pagelemon verbena oil turkey @ 0.20%
data pagelemongrass oil @ 2.80%
data pagelime oil CO2 extract mexico @ 0.02%
data pagelime oil distilled mexico @ 0.01%
data pagelime oil distilled peru @ 0.01%
data pagelime oil expressed florida @ trace%
data pagelippia aff. gracillis h.b.k. leaf oil brazil @ 1.30%
data pagelovage flower oil @ 0.08%
data pagelovage leaf oil @ 0.20%
data pagelovage seed oil @ 0.24%
data pagemace oil CO2 extract @ 2.40%
data pagemandarin oil avana @ 0.66%
data pagemandarin oil italy @ 0.91%
data pagemandarin oil uruguay @ trace%
data pagemanuka var. rotundifolium oil australia @ 0.10%
data pagemanuka var. scoparium oil new zealand @ 0.03%
data pagemarjoram oil spain @ trace%
data pagemarjoram oil sweet cuba @ 0.33%
data pagemarjoram oil sweet iran @ 0.60%
data pagemarjoram oil sweet morocco @ 0.32%
data pagemastic oil @ 0.06%
data pagemikania cordata (burm. f.) b.l. robinson var. cordata leaf oil france @ 1.30%
data pagemyrrhinium atropurpureum schott leaf oil brazil @ 0.30%
data pagemyrtle oil @ 0.17%
data pageneroli bigarde oil france @ trace%
data pageneroli oil CO2 extract @ trace%
data pagenutmeg extract co2 west indian @ 1.10%
data pagenutmeg oil hydrodistilled india @ 2.2%
data pagenutmeg oil india @ 1.16%
data pageocimum gratissimum l. oil brazil @ trace%
data pageorange peel oil bitter china @ 0.22%
data pageorange peel oil bitter italy @ trace%
data pageorange peel oil sweet c.p. blond italy @ 0.003%
data pageorange peel oil sweet c.p. blond italy @ 0.004%
data pageorange peel oil sweet c.p. blond italy @ 0.005%
data pageorange peel oil sweet c.p. blond italy @ 0.006%
data pageorange peel oil sweet c.p. blond italy @ 0.006%
data pageoregano oil mexico @ 0.08%
data pageoriganum oil greece @ 0.65%
data pageparsley leaf oil @ 0.14%
data pageparsley seed oil @ 0.19%
data pagepennyroyal oil @ trace%
data pagepepper oil black india @ 2.10%
data pagepetitgrain grapefruit oil @ 4.00%
data pagepetitgrain lime oil @ 0.20%
data pagepetitgrain oil @ trace%
data pagepetitgrain sweet oil @ 0.58%
data pagephlomis fruticosa l. flower oil greece @ 0.40%
data pagephoebe oil brazil @ 0.04%
data pagepinus sylvestris l. needle oil estonia @ 0.20%
data pageplectranthus glandulosus hook f. leaf oil cameroon @ trace%
data pageprangos uechtritzii boiss. et hausskn. fruit oil turkey @ 0.30%
data pageprotium heptaphyllum (aubl.) march resin oil brazil @ 0.70%
data pagerosemary oil france @ 0.00-0.08%
data pagerosemary oil morocco @ 0.00-trace%
data pagerosemary oil turkey @ 0.35%
data pagesage oil albania @ 0.20%
data pagesage oil england @ trace%
data pagesage oil lithuania @ 0.15%
data pagesage oil reunion @ 0.20%
data pagesage oil sardinia @ 0.10%
data pagesage oil spain @ 0.1%
data pagesage oil spain @ 0.2-0.5%
data pagesage oil spain @ 0.30%
data pagesatureja khuzistanica jamzad oil iran @ 0.50%
data pagesatureja viminea l. oil costa rica @ 0.10%
data pagesavin oil @ 0.90%
data pagesavory oil winter @ 0.90%
data pagesavory oleoresin winter @ 0.90%
data pagesugandha kokila berry oil @ 0.30%
data pagetagete flower oil rwanda @ trace%
data pagetagete oil rwanda @ trace%
data pagetansy oil marocco @ 0.10%
data pagetaxodium distichum (l.) richard branch oil italy @ 0.60%
data pagetaxodium distichum (l.) richard cone oil italy @ 0.30%
data pagetaxodium distichum (l.) richard leaf oil italy @ 0.60%
data pagetea tree oil australia @ 0.44%
data pagethyme absolute @ trace%
data pagethyme oil portuguese @ 0.8%
data pagethyme oil red CO2 extract @ 0.03%
data pagethyme oil red india @ 3.6%
data pagethyme oil red spain @ 0.87-2.10%
data pagethyme oil spain @ 0.08%
data pagetrachyspermum roxburghianum benth. ex. kurz. seed oil india @ 2.80%
data pagevalerian root oil china @ 0.43%
data pagevassoura oil @ 0.10%
data pagewormseed oil spain @ 0.26%
data pagewormwood flower oil annus america @ 0.13%
data pagewormwood leaf oil annus america @ 0.01-0.10%
data pagewormwood oil annus france @ 0.00-0.90%
data pagewormwood oil cuba @ 0.58%
data pagewormwood oil italy @ 0.3%
data pageyarrow leaf oil @ trace%
data pageyarrow oil @ 0.20%
data pageyarrow oil greece @ trace%
data pageyuzu leaf oil @ 0.25-0.63%



information only - not sold by The Good Scents Company.


Please share your Information / Comments.

Your email Address:


Top of Page          The Good Scents Company Home
Copyright © 1980-2009 The Good Scents Company Disclaimer Privacy Policy
Html Last modified 08/04/2009