methyl cyclocitrone
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IUPAC name :1-(3,5,6-trimethyl-1-cyclohex-3-enyl)ethanone
InChI :InChI=1/C11H18O/c1-7-5-8(2)9(3)11(6-7)10(4)12/h5,8-9,11H,6H2,1-4H3
InChIKey :KJJMTKOKFXURKM-UHFFFAOYAL
SMILES :CC1C=C(CC(C1C)C(=O)C)C
cas number :68480-14-8
(EINECS) number :270-891-0
molar refractivity :50.59 ± 0.3 cm3
parachor :423.9 ± 6.0 cm3
index of refraction :1.448 ± 0.02
surface tension :25.3 ± 3.0 dyne/cm
density :0.879 ± 0.06 g/cm3
polarizability :20.05 ± 0.5 10-24cm3
XlogP : 2.70
molecular weight : 166.2600200 (IUPAC)
formula :C11 H18 O
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Penta :methyl cyclo citrone
organoleptics :
odor type :green
odor strength :medium
odor description:
at 100.00 %.  		green floral earthy dry woody
properties :
appearence :colorless clear liquid
assay : 85.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.90900 to 0.91700 @ 25.00 °C.
pounds per gallon - calc. : 7.564 to 7.630
specific gravity :0.91000 to 0.91800 @ 20.00 °C.
pounds per gallon - calc. : 7.581 to 7.648
refractive index :1.46600 to 1.47100 @ 20.00 °C.
boiling point : 223.00 to 224.00 °C. @ 760.00 mm Hg
flash point : 182.00  °F.  TCC  ( 83.33 °C. )
logP (o/w) : 3.17
safety :
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :fragrance agents
 
recommendation for methyl cyclocitrone fragrance usage levels up to :
  2.0000 % in the fragrance concentrate.
recommendation for methyl cyclocitrone flavor usage levels up to :
 not for flavor use.
safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
 
 
 
1-(3,5,6-trimethyl-1-cyclohex-3-enyl)ethanone
(EINECS) number :270-891-0
chemidplus :068480148
EPA Substance Registry Services :68480-14-8
references :
 
1-(3,5,6-trimethyl-1-cyclohex-3-enyl)ethanone
pubchem :686759
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
synonyms :
 methyl cyclocitrone
 trimethyl cyclohexanyl methyl ketone
2,3,6-trimethyl cyclohexen-4-yl-1-methyl ketone
1-trimethyl-3-cyclohexenyl ethanone
1-(3,5,6-trimethyl-1-cyclohex-3-enyl) ethanone
1-(3,5,6-trimethyl-1-cyclohex-3-enyl)ethanone
1-(3,5,6-trimethyl-3-cyclohexen-1-yl) ethan-1-one
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
isoamyl 3-(2-furan) propionateFL/FR
 amyl benzoateFL/FR
 amyl formateFL/FR
 anisyl propanal / methyl anthranilate schiff's baseFR
 apple ketalFL/FR
 benzyl disulfideFL
 benzyl methyl etherFL/FR
 bergoxaneFR
 bicyclogermacrene 
 bornyl formateFL/FR
 bornyl salicylateFR
isobutyl benzyl carbinolFL/FR
alpha-butyl cinnamaldehydeFL/FR
beta-cadinene 
alpha-campholenic aldehydeFL/FR
 chrysanthemum oxideFL/FR
 cinnamyl formateFL/FR
 citral dimethyl acetalFL/FR
 citronellyl acetateFL/FR
 citronellyl propionateFL/FR
 clary sage absoluteFL/FR
 cumin carbinolFR
 cuminyl acetaldehydeFL/FR
isocyclogeraniolFR
 decanal propylene glycol acetalFL/FR
3-decanoneFL/FR
(E)-4-decen-1-alFL/FR
2-decen-1-alFL/FR
 dimethyl benzyl carbinolFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 dimethyl succinateFL/FR
6,8-dimethyl-2-nonanolFR
 earthy acetalFL/FR
 elemi oilFL/FR
alpha-elemolFL/FR
 ethyl 2-benzyl butyrateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
2-ethyl octine carbonateFL
isoeugenyl formateFL/FR
 farnesyl acetateFL/FR
 fern absolute 
 floral butanalFR
 flower hexeneFR
 fresh nitrileFR
 galbanum oilFL/FR
 galbanum oleoresinFL
 galbanum resinoidFR
 gardenia absoluteFR
 geranium absoluteFL/FR
 geranium oilFL/FR
 geranyl acetoneFL/FR
 geranyl isobutyrateFL/FR
 grapefruit pentanolFR
delta-heptalactoneFL/FR
 heptanolFL/FR
(E)-2-hexen-1-yl salicylateFR
(Z)-3-hexen-1-yl salicylateFL/FR
(Z)-3-hexen-1-yl tiglateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 hyacinth absoluteFL/FR
 hydroxycitronellal diethyl acetalFL/FR
6-hydroxydihydrotheaspirane (mixture of isomers)FL/FR
 ivy carbaldehyde / methyl anthranilate schiff's baseFR
 ivy dioxolaneFR
 jasmin cyclopentanolFR
 jonquil absoluteFR
 linalool oxideFL/FR
 marine hexaneFR
 methyl 2-undecynoateFL
para-methyl hydratropaldehydeFL/FR
 methyl octine carbonateFL/FR
4-methyl-4-phenyl pentanoneFR
alpha-methylene citronellalFR
 mimosa absoluteFL/FR
 muguet undecadienalFR
 neroli ketoneFL/FR
 neroli oilFL/FR
 nerolidolFL/FR
(Z)-6-nonen-1-alFL/FR
1-nonen-3-olFL/FR
 oakmoss absoluteFL/FR
 ocean propanal / methyl anthranilate schiff's baseFR
 octanal dimethyl acetalFL/FR
 octanal propylene glycol acetalFL/FR
2-octanolFL/FR
1-octen-3-olFL/FR
 octyl acetateFL/FR
 octyl isobutyrateFL/FR
 octyl oxyacetaldehydeFR
 orange leaf absoluteFL/FR
 papaya isobutyrateFL/FR
 peach pivalateFR
 peanut oxazoleFL
2-pentyl furanFL/FR
 phenyl acetaldehydeFL/FR
 phenyl acetaldehyde diisobutyl acetalFL/FR
2-phenyl propionaldehyde ethylene glycol acetalFR
2-phenyl propyl acetateFL/FR
1-phenyl-2-pentanolFL/FR
 propylene glycol acetone ketalFL
 rose butanoateFL/FR
 styralyl formateFL/FR
 sweet pea absoluteFR
 terpinyl isobutyrateFL/FR
 terpinyl propionateFL/FR
 tricyclo(5.2.1.02,6)dec-3-enyl acetateFR
 tricyclodecenyl acetateFR
 tropical trithianeFL/FR
 valerian absoluteFL/FR
 valerian root oilFL/FR
 valerian root oil chinaFL/FR
 valerian root oil CO2 extract chinaFL/FR
potential uses :
 earth humus
 floral
 green
natural occurrence in :    note
 not found in nature  

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