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
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 :
 
recommendation for methyl cyclocitrone usage levels up to :
  2.0000 % in the fragrance concentrate.
recommendation for methyl cyclocitrone 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 :
 trimethyl cyclohexanyl methyl ketone
2,3,6-trimethyl cyclohexen-4-yl-1-methyl ketone
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
1-trimethyl-3-cyclohexenyl ethanone

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
isoamyl 3-(2-furan) propionate
 amyl benzoate
 amyl formate
 anisyl propanal / methyl anthranilate schiff's base
 apple ketal
 benzyl disulfide
 benzyl methyl ether
 bergoxane
 bicyclogermacrene
 bornyl formate
 bornyl salicylate
isobutyl benzyl carbinol
alpha-butyl cinnamaldehyde
beta-cadinene
alpha-campholenic aldehyde
 chrysanthemum oxide
 cinnamyl formate
 citral dimethyl acetal
 citronellyl acetate
 citronellyl propionate
 clary sage absolute
 cumin carbinol
 cuminyl acetaldehyde
isocyclogeraniol
 decanal propylene glycol acetal
3-decanone
(E)-4-decen-1-al
2-decen-1-al
 dimethyl benzyl carbinol
 dimethyl benzyl carbinyl butyrate
 dimethyl succinate
6,8-dimethyl-2-nonanol
 earthy acetal
 elemi oil
alpha-elemol
 ethyl 2-benzyl butyrate
 ethyl methyl-para-tolyl glycidate
2-ethyl octine carbonate
isoeugenyl formate
 farnesyl acetate
 fern absolute
 floral butanal
 flower hexene
 fresh nitrile
 galbanum oil
 galbanum oleoresin
 galbanum resinoid
 gardenia absolute
 geranium absolute
 geranium oil
 geranyl acetone
 geranyl isobutyrate
 grapefruit pentanol
delta-heptalactone
 heptanol
(E)-2-hexen-1-yl salicylate
(Z)-3-hexen-1-yl salicylate
(Z)-3-hexen-1-yl tiglate
alpha-hexyl cinnamaldehyde
 hyacinth absolute
 hydroxycitronellal diethyl acetal
6-hydroxydihydrotheaspirane (mixture of isomers)
 ivy carbaldehyde / methyl anthranilate schiff's base
 ivy dioxolane
 jasmin cyclopentanol
 jonquil absolute
 linalool oxide
 marine hexane
 methyl 2-undecynoate
para-methyl hydratropaldehyde
 methyl octine carbonate
4-methyl-4-phenyl pentanone
alpha-methylene citronellal
 mimosa absolute
 muguet undecadienal
 neroli ketone
 neroli oil
 nerolidol
(Z)-6-nonen-1-al
1-nonen-3-ol
 oakmoss absolute
 ocean propanal / methyl anthranilate schiff's base
 octanal dimethyl acetal
 octanal propylene glycol acetal
2-octanol
1-octen-3-ol
 octyl acetate
 octyl isobutyrate
 octyl oxyacetaldehyde
 orange leaf absolute
 papaya isobutyrate
 peach pivalate
 peanut oxazole
2-pentyl furan
 phenyl acetaldehyde
 phenyl acetaldehyde diisobutyl acetal
2-phenyl propionaldehyde ethylene glycol acetal
2-phenyl propyl acetate
1-phenyl-2-pentanol
 propylene glycol acetone ketal
 rose butanoate
 styralyl formate
 sweet pea absolute
 terpinyl isobutyrate
 terpinyl propionate
 tricyclo(5.2.1.02,6)dec-3-enyl acetate
 tricyclodecenyl acetate
 tropical trithiane
 valerian absolute
 valerian root oil
 valerian root oil china
 valerian root oil CO2 extract china

(odor and/or flavor) used in :
 earth humus
 floral
 green

natural occurrence in :
not found in nature



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