woody cyclohexanone
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IUPAC name :4-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexan-1-one
InChI :InChI=1/C14H24O2/c1-7-16-10(2)12-13(3,4)8-11(15)9-14(12,5)6/h12H,2,7-9H2,1,3-6H3
InChIKey :YLNYLLVKHRZLGO-UHFFFAOYAG
SMILES :CCOC(=C)C1C(CC(=O)CC1(C)C)(C)C
cas number :36306-87-3
(EINECS) number :252-961-2
beilstein number :2258311
molar refractivity :66.19 ± 0.3 cm3
parachor :562.6 ± 6.0 cm3
index of refraction :1.446 ± 0.02
surface tension :26.4 ± 3.0 dyne/cm
density :0.903 ± 0.06 g/cm3
polarizability :26.24 ± 0.5 10-24cm3
XlogP : 3.60
molecular weight : 224.3391600 (IUPAC)
formula :C14 H24 O2
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Givaudan :Kephalis
Odor:  Rich, Warm, Woody, Ambery, Tobacco
Moellhausen :kephalis
80% min. nature identical kosher
Odor:  honey, amberwoody note
Organica Aromatics :KEPHALOR
Min 80%
Penta :3,3,5,5-tetramethyl-4-ethoxyvinyl cyclohexanone
Vigon :Kephalis
Odor:  WOODY, FLORAL, AMBER

organoleptics :
odor type :woody
odor strength :medium
odor description :¹
at 100.00 %.  
woody old wood amber tobacco hot herbal
odor sample from :Roure Bertrand Dupont Inc.
substantivity :96  Hour(s)

properties :
appearence :colorless to pale yellow clear liquid
assay : 80.00 to 100.00 %   
Food Chemicals Codex Listed :No
vapor pressure :0.00530 mm/Hg @ 20.00 °C.
flash point : 261.00  °F.  TCC  ( 127.22 °C. )
logP (o/w) : 4.30

safety :
most important hazard(s) :Xi - Irritant
  R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
Human experience : 10 % solution: no irritation or sensitization.
Oral Toxicity(LD50) :
  Oral-Rat    >5000.00  mg/kg
Food and Chemical Toxicology. Vol. 20, Pg. 835, 1982.

Dermal Toxicity(LD50) :
  Skin-Rabbit  >5000.00  mg/kg
Food and Chemical Toxicology. Vol. 20, Pg. 835, 1982.

Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for woody cyclohexanone usage levels up to :
  8.0000 % in the fragrance concentrate.
recommendation for woody cyclohexanone usage levels up to :
 not for flavor use.

safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 4-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexan-1-one
(EINECS) number :252-961-2
chemidplus :036306873
EPA Substance Registry Services :36306-87-3

references :
 4-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexan-1-one
pubchem :695005

Cosmetics :
Cosmetic uses : perfuming agents

other :
reference : Luebke, William tgsc, (1987)¹
CosIng :cosmetic data
synonyms :
4-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexan-1-one
4-(1-ethoxyvinyl)-3,3,5,5-tetramethyl cyclohexanone
 kephalis
3,3,5,5-tetramethyl-4-(1-ethoxyvinyl) cyclohexanone
3,3,5,5-tetramethyl-4-(1-ethoxyvinyl)-1-cyclohexanone
3,3,5,5-tetramethyl-4-ethoxyvinyl cyclohexanone

soluble in :
 alcohol
 water, 261 mg/L @ 20C

insoluble in :
 water

(odor and/or flavor) blends with :
 acetophenone
 allyl ionone
 amber carbinol
 amber oxepin
 ambrette seed oil
 ambroxan
alpha-amyl cinnamaldehyde
isoamyl salicylate
 amyris wood oil
 angelica root oil
para-anisaldehyde
para-anisyl alcohol
 armoise oil
 bay leaf oil
 benzoin resinoid
 benzophenone
 benzyl benzoate
 benzyl isoeugenol
 benzyl salicylate
 bergamot oil
 bois de rose oil
isobornyl acetate
laevo-bornyl acetate
isobutyl benzoate
isobutyl cinnamate
isobutyl quinoline
isobutyl salicylate
 caraway seed oil
 carrot seed oil
 cassia bark oil
 cedarleaf oil
 cedarwood oils
 cedrenes
 cedryl methyl ether
 cinnamyl alcohol
 cistus oil
 citronellol
 clary sage oil
 clove bud oil
 coconut absolute
 coriander seed oil
 costus valerolactone
 coumarin
 cyclamen aldehyde
 cypress oil
 decanol
 dimethyl benzyl carbinol
 dimethyl benzyl carbinyl acetate
 dimethyl benzyl carbinyl butyrate
 diphenyl oxide
 dodecanal
 dodecanol
 ethyl cinnamate
4-ethyl guaiacol
 ethyl laurate
 ethyl phenyl acetate
 ethyl vanillin
 eugenol
isoeugenyl acetate
 fir balsam absolute
 floral pyranol
 frankincense resinoid
 fruity cyclopentanone
 galbanum oxathiane
 gardenia decalone
 guaiacwood oil
 gurjun balsam oil
 hay absolute
 heliotropin
 heliotropyl acetone
 heliotropyl diethyl acetal
gamma-heptalactone
gamma-hexalactone
(Z)-3-hexen-1-yl benzoate
(Z)-3-hexen-1-yl salicylate
alpha-hexyl cinnamaldehyde
 ho leaf oil
 hyacinth ether
 hydroxycitronellal
 ionones
 irones
 labdanum resinoid
 leerall
 linalool
laevo-linalool
 linalool oxide
 linalyl acetate
 mastic resin
 methyl acetophenone
alpha-methyl cinnamaldehyde
 methyl cinnamate
 methyl dihydrojasmonate
 methyl ionones
 methyl isoeugenol
2-methyl undecanal
 methyl undecylenate
 muguet carboxaldehyde
 musks
 myrrh oil
beta-naphthyl ethyl ether
 nerolidol
gamma-nonalactone
 nopyl acetate
 ocean propanal
 orris pyridine
 patchouli ethanone
 patchouli oil
 phenethyl alcohol
 phenethyl phenyl acetate
 phenethyl salicylate
 phenyl acetaldehyde dimethyl acetal
3-phenyl propionaldehyde
3-phenyl propyl alcohol
isopropyl ionone
 raspberry ketone
 rhodinol
 rose butanoate
 sage oil
 santall
 spruce oil
alpha-terpineol
 tetrahydrolinalool
 tobacco dodecane
 tonka bean absolute
 vanilla absolute
 vanillyl acetate
 verymoss
 vetiver oil
 woody acetate
 woody amylene
 woody propanol

(odor and/or flavor) used in :
 aldehydic
 amber
 angel
 animal
 balsam
 cedar
 cloth clean cloths
 diffusion
 herbal
 incense
 jasmin
 lavender
 leather
 moss
 musk
 oriental
 patchouli
 rain
 rose
 sandalwood
 tobacco tabac tabaco
 vetiver
 violet
 woody

natural occurrence in :
not found in nature



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