fenchone
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IUPAC name :1,3,3-trimethylbicyclo[2.2.1]heptan-2-one
InChI :InChI=1/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3
InChIKey :LHXDLQBQYFFVNW-UHFFFAOYAX
SMILES :CC1(C2CCC(C2)(C1=O)C)C
cas number :1195-79-5
(EINECS) number :214-804-6
beilstein number :1861492
fema number :2479
coe number :551
fl. number :07.037
molar refractivity :44.39 ± 0.3 cm3
parachor :367.1 ± 6.0 cm3
index of refraction :1.485 ± 0.02
surface tension :31.5 ± 3.0 dyne/cm
density :0.982 ± 0.06 g/cm3
polarizability :17.59 ± 0.5 10-24cm3
XlogP : 1.50
molecular weight : 152.2334400 (IUPAC)
formula :C10 H16 O
pherobase floral:view
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Need This Molecule?:You can contact the Chemical Sources Association and ask the Sourceress.
organoleptics :
properties :
assay : 96.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 5.00 to 6.00 °C. @ 760.00 mm Hg
boiling point : 193.00 to 194.00 °C. @ 760.00 mm Hg
boiling point : 104.00 to 105.00 °C. @ 50.00 mm Hg
flash point : 140.00  °F.  TCC  ( 60.00 °C. )
logP (o/w) : 3.04
safety :
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
 
safety references :
EPI System :view
Toxicology Citations :Search
National Toxicology Program :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
 
 
 
1,3,3-trimethylbicyclo[2.2.1]heptan-2-one
(EINECS) number :214-804-6
chemidplus :001195795
EPA Substance Registry Services :1195-79-5
dtp/nci :8896
references :
Leffingwell :chirality
 
1,3,3-trimethylbicyclo[2.2.1]heptan-2-one
fl. number :07.037
NIST Chemistry WebBook :117268008
pubchem :173407
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
synonyms :
3,3-dimethyl-8,9-dinorbornan-2-one
dextro,laevo-fenchone
(±)-fenchone\r\n
1,3,3-trimethyl bicyclo(2.2.1)heptan-2-one
1,3,3-trimethyl norcamphor
1,3,3-trimethyl-2-norbornanone
1,3,3-trimethyl-2-norcamphanone
1,3,3-trimethylbicyclo[2.2.1]heptan-2-one
soluble in :
 alcohol
 water, 744 mg/L @ 25C
potential blenders :    note
 acetaldehyde di-(Z)-3-hexen-1-yl acetalFL/FR
 acetophenoneFL/FR
6-acetoxydihydrotheaspiraneFL/FR
 acorn acetateFR
1-allyl-2,2,7,7-tetramethyl cycloheptanolFR
 amber caraneFR
 amber decatrieneFR
 amber dioxepineFR
 ambrette seed oilFL/FR
 ambroxideFL/FR
 amyl benzoateFL/FR
alpha-amyl cinnamaldehydeFL/FR
alpha-amyl cinnamaldehydeFL/FR
 amyris wood oilFL/FR
 angelica root oilFL/FR
 animal carbolactoneFR
 anise indeneFR
para-anisyl alcoholFL/FR
para-anisyl phenyl acetateFL/FR
 armoise oilFR
 bay leaf oilFL/FR
 benzoin resinoidFL/FR
 benzyl benzoateFL/FR
 benzyl salicylateFL/FR
3-benzyl-4-heptanoneFL/FR
3-benzylidene-2-butanoneFL/FR
 bicyclogermacrene 
dextro-borneolFL/FR
laevo-borneolFL/FR
 bornyl acetateFL/FR
isobornyl acetateFL/FR
laevo-bornyl acetateFL/FR
 bornyl butyrateFL/FR
isobornyl isobutyrateFL/FR
isobornyl methyl etherFR
isobornyl phenyl acetateFL/FR
isobornyl propionateFL/FR
 bornyl salicylateFR
 buchu leaf oilFL/FR
 buchu oximeFR
isobutyl angelateFL/FR
2-tert-butyl cyclohexanoneFR
para-tert-butyl cyclohexanoneFR
isobutyl furyl propionateFL/FR
isobutyl iononeFR
isobutyl quinolineFR
delta-cadinene 
gamma-cadinene 
alpha-cadinol 
 campheneFL/FR
(+)-campheneFL/FR
 camphenilone 
alpha-campholenic alcoholFL/FR
(±)-camphorFL/FR
 cananga oilFL/FR
 cangerana root bark oil 
 cardamom seed oilFL/FR
 carrot seed oilFL/FR
 carvacrolFL/FR
4-carvomenthenolFL/FR
 caryophyllene alcohol acetateFL/FR
 cassia bark oilFL/FR
 cedanolFR
 cedar cyclododecatrieneFR
 cedarleaf oilFL/FR
 cedarwood oil atlasFR
 cedarwood oilsFR
 cedraloneFR
 cedrela wood oilFR
alpha-cedreneFL/FR
 cedrenolFL/FR
 cedrenyl acetateFR
 cedrol methyl etherFR
 cedryl acetateFL/FR
 cedryl formateFR
 chamomile isobutyrateFR
 chamomile oilFL/FR
1,4-cineoleFL/FR
 cinnamon acroleinFL/FR
 cistus cyclohexanoneFL/FR
 cistus oilFL/FR
(±)-citronellolFL/FR
 clary acetateFR
 clove bud oilFL/FR
 clover nitrileFR
 conifer acetateFL/FR
 coriander seed oilFL/FR
 costus valerolactoneFR
 cumin carbinolFR
 currant bud absolute blackFL/FR
beta-homocyclocitralFL/FR
 cyclohexanone diethyl acetalFL/FR
 cyclohexyl propanolFR
2-cyclopentyl cyclopentanoneFL/FR
para-cymeneFL/FR
 cypress absoluteFR
 dihydro-beta-iononeFL/FR
isodihydrolavandulolCS
isodihydrolavandulyl acetateCS
alpha-dihydroterpineolFL/FR
 dihydroterpinyl acetateFL/FR
2,3-dimethyl benzofuranFL
 dimethyl benzyl carbinolFL/FR
2-(1,1-dimethyl ethyl)-4-methyl cyclohexanolFR
2,3-dimethyl quinoxalineFL
 dodecanalFL/FR
 earthy acetalFL/FR
 earthy indaneFR
 epoxyoxophoroneFL
2-ethyl hexyl salicylateFR
 ethyl laurateFL/FR
 fenchyl acetateFL/FR
alpha-fenchyl acetate 
 fenchyl alcoholFL/FR
 fir balsam absoluteFR
 fir carboxylateFR
 fir needle oilFL/FR
 fir needle oil terpenelessFL/FR
 formoxymethyl isolongifoleneFR
 frankincense oilFL/FR
 fresh carbaldehydeFR
 galbanum absoluteFL/FR
 geosminFR
 geranic oxideFL/FR
 geranyl oxyacetaldehydeFR
 green hexanalFL/FR
 gurjun balsam oilFR
 hemlock western oilFR
delta-heptalactoneFL/FR
 herbal careneFR
 herbal ketoneFR
 herbal norbornaneFR
 herbal undecanolFR
 herbal undecanoneFR
alpha-hexyl cinnamaldehydeFL/FR
 hexyl cinnamate 
 hexyl pivalateFR
 hinoki leaf oilFR
 hinoki root oilFR
 huon pine wood oilFR
6-hydroxydihydrotheaspirane (mixture of isomers)FL/FR
 hydroxymethyl hexyl ethyl ketoneFL/FR
 juniper berry absoluteFL/FR
 juniper berry oilFL/FR
 juniper berry oil CO2 extractFL/FR
 juniper berry oil terpenelessFL/FR
 juniper carboxaldehydeFR
 labdanum oilFL/FR
 labdanum resinoidFR
 lauryl acetateFL/FR
 lavandin oilFL/FR
 lavender absoluteFL/FR
 lavender oilFL/FR
 leafy acetalFL/FR
 lilac lactoneFL/FR
 limonen-10-yl acetateFL
 linalool oxideFL/FR
 linalool oxide (furanoid)FL/FR
 linalool oxide acetatesFL/FR
 linalyl isobutyrateFL/FR
isolongifolene epoxideFR
isolongifolene ketoneFR
 mastic absoluteFL/FR
 mcp acetate 
para-menth-1-ene-9-olFL/FR
para-menth-3-en-1-olFL/FR
 menthadienyl formateFR
 mentholFL/FR
homomenthyl acetateFL/FR
2-methoxy-4-vinyl phenolFL/FR
 methyl cedryl ketoneFL/FR
 methyl cyclocitroneFR
3-methyl cyclohexanoneFL
 methyl hexyl ketoneFL/FR
 methyl phenyl acetateFL/FR
1-methyl pyrroleFL
isomethyl tetrahydroionyl acetateFR
2-methyl undecanalFL/FR
2-methyl-4-phenyl butanalFL/FR
 muhuhu wood oilFR
 musk decanolideFR
 musk lactoneFR
 musks 
 myrcenolFL/FR
 myrcenyl acetateFL/FR
 myrrh oilFL/FR
 myrtenolFL/FR
 myrtenyl isobutyrate 
 myrtle oilFL/FR
 nopolFL/FR
 nopyl acetateFR
 nutmeg absoluteFL/FR
 oakmoss concreteFR
(E)-beta-ocimene 
(Z)-beta-ocimeneFL/FR
 ocimene oxiraneFR
1,5-octadien-3-ol 
 octanal propylene glycol acetalFL/FR
 octane nitrileFR
3-octanon-1-olFL/FR
(Z)-4-octen-1-olFL/FR
isooctyl acetateFL/FR
 orris butanalFL/FR
 patchouli absoluteFR
 patchouli ethanolFR
 patchouli ethanoneFR
 patchouli hexanolFR
 patchouli indeneFR
 patchouli oilFL/FR
2-pentyl cyclopentanoneFR
 peppermint oilFL/FR
 phenyl acetaldehyde 2,3-butylene glycol acetalFL/FR
1-phenyl-2-pentanolFL/FR
(Z)-pinaneFR
(Z)-2-pinanolFR
 pine hexanolFR
 pine needle absoluteFL/FR
 pine needle oil dwarfFL/FR
(-)-alpha-pineneFL/FR
alpha-pineneFL/FR
beta-pineneFL/FR
laevo-beta-pineneFL/FR
 pinoacetaldehydeFR
 pinocarveolFL/FR
 piperitenone oxideFL
 prenyl salicylateFL/FR
 propenyl guaetholFL/FR
isopulegolFL/FR
 pulegoneFL/FR
 rose pyranFR
 sandal glycol acetalFR
 santallFR
 sclareolFL/FR
 spicy carbonateFR
 spruce needle absoluteFL/FR
 spruce oilFL/FR
 styralyl formateFL/FR
 styrax oilFL/FR
gamma-terpineneFL/FR
alpha-terpinyl acetateFL/FR
 terpinyl benzoateFR
 terpinyl isovalerateFL/FR
beta-thujaplicinFR
 thymolFL/FR
 timber propanolFR
 tobacco dodecaneFR
 tobacco noneneFR
 tonka bean absoluteFR
 tricyclodecenyl acetateFR
 valerian root oilFL/FR
 vanilla cresolFR
 vanillinFL/FR
 vanillylidene acetoneFL/FR
 verymossFR
 vetiver pentanoneFR
4-vinyl phenolFL
 woody acetateFR
 woody dodecaneFR
 woody epoxideFR
 woody ketoneFL/FR
 woody nonaneFR
 woody propanolFR
potential uses :
 amber
 balsam
 camphor
 cedarleaf
 fennel
 fir
 fir balsam
 herbal
 lavandin
 lavender
 mint
 oriental
 peppermint
 pine
 rosemary
 sage
 spice
 spruce
 thyme
 woody
natural occurrence in :    note
data pageamomum testaceum ridl. fruit oil malaysia @ 10.50% S
data pageboldo leaf oil italy @ 0.01% S
data pageboldus leaf oil chile @ trace% S
data pagecarrot weed oil @ 0.61% S
data pagecedarleaf oil canada @ 6.20-13.00% S
data pagecedarwood oil lebanon @ >0.10% S
data pagecitronella oil zimbabwe @ 2.38% S
data pagefennel absolute sweet @ 16.90% S
data pagefennel flower oil bitter lithuania @ 15.59% S
data pagefennel seed oil bitter lithuania @ 7.20% S
data pagefennel seed oil bitter spain @ 18.60% S
data pagefennel seed oil sweet @ 2.12% S
data pagefoeniculum vulgare piperitum oil @ 0.30% S
data pagelavandin oil abrialis @ 0.01% S
data pagelavandin oil grosso @ 0.01% S
data pagelemon verbena oil morocco @ 0.6% S
data pagemarjoram oil sweet morocco @ 4.89% S
data pagepine needle oil scotch siberia @ 1.6-1.9% S
data pageplectranthus glandulosus hook f. leaf oil cameroon @ 30.80% S
data pagesantolina oil @ 1.13% S

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