woody ketone
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IUPAC name :1-(3,3-dimethylcyclohexyl)ethanone
InChI :InChI=1/C10H18O/c1-8(11)9-5-4-6-10(2,3)7-9/h9H,4-7H2,1-3H3
InChIKey :DXIWBWIDAYBUDF-UHFFFAOYAG
SMILES :CC(=O)C1CCCC(C1)(C)C
cas number :25304-14-7
(EINECS) number :246-799-1
fl. number :07.246
molar refractivity :46.19 ± 0.3 cm3
parachor :400.3 ± 6.0 cm3
index of refraction :1.437 ± 0.02
surface tension :26.7 ± 3.0 dyne/cm
density :0.875 ± 0.06 g/cm3
polarizability :18.31 ± 0.5 10-24cm3
XlogP : 3.20
molecular weight : 154.2493200 (IUPAC)
formula :C10 H18 O
NMR Predictor :Predict
 
 
export tariff code :2914.29.0000
fda reg :unspecified
Suppliers :
IFF :Herbac
≥95% (sum of isomers)
Odor:  Herbal, Woody, Minty
Powerful, woody, herbal, cedar leaf, thujone complex. Camphor, earthy, eucalyptus, wet, minty.
John D. Walsh :Herbac
Penta :3,3-dimethylcyclohexylmethyl ketone
organoleptics :
odor type :thujonic
odor strength :medium
odor description:
at 100.00 %.  		woody herbal cedarleaf thujone minty
Luebke, William tgsc, (1989)
odor sample from :International Flavors & Fragrances Inc.
substantivity :12  Hour(s)
properties :
appearence :colorless clear liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.89400 to 0.90200 @ 25.00 °C.
pounds per gallon - calc. : 7.439 to 7.506
specific gravity :8.95000 to 9.03000 @ 20.00 °C.
pounds per gallon - calc. :74.560 to 75.226
refractive index :1.45000 to 1.45500 @ 20.00 °C.
flash point : 158.00  °F.  TCC  ( 70.00 °C. )
logP (o/w) : 2.94
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 37/39 - Wear suitable gloves and eye/face protection.
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
 
recommendation for woody ketone fragrance usage levels up to :
  10.0000 % in the fragrance concentrate.
safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 
1-(3,3-dimethylcyclohexyl)ethanone
(EINECS) number :246-799-1
chemidplus :025304147
EPA Substance Registry Services :25304-14-7
references :
 
1-(3,3-dimethylcyclohexyl)ethanone
fl. number :07.246
pubchem :668124
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
synonyms :
3,3-dimethyl cyclohexyl methyl ketone
1-(3,3-dimethyl cyclohexyl) ethan-1-one
1-(3,3-dimethylcyclohexyl)ethanone
 herbac
 woody ketone
soluble in :
 alcohol
insoluble in :
 water
stability :
 acid cleaner
 alcoholic lotion
 antiperspirant
 deo stick
 detergent
 fabric softener
 hard surface cleaner
 shampoo
 soap
potential blenders :    note
isoamyl salicylateFL/FR
 anise indeneFR
3-benzyl-4-heptanoneFL/FR
isoborneolFL/FR
 bornyl 2-methyl butyrateFL/FR
isobornyl acetateFL/FR
 bornyl butyrateFL/FR
beta-bourboneneFL/FR
delta-cadinene 
gamma-cadinene 
alpha-cadinol 
 campheneFL/FR
dextro-camphorFL/FR
 celery undeceneFR
 cinnamon acroleinFL/FR
 cistus oilFL/FR
 coriander oleoresinFL
 currant bud absolute blackFL/FR
isocyclocitralFL/FR
8,9-dehydrotheaspironeFL
 fir needle oilFL/FR
 herbal undecanoneFR
 immortelle flower oilFR
(Z)-jasmoneFL/FR
 karo karounde absoluteFR
 lavender flower oil lithuaniaFL/FR
 lavender oil franceFL/FR
 lavender oil greeceFL/FR
 marine formateFR
 methyl hexyl ketoneFL/FR
para-methyl hydratropaldehydeFL/FR
1-methyl pyrroleFL
gamma-muurolene 
 nonisyl propionateFR
 parsley leaf oilFL/FR
 patchouli indeneFR
 pennyroyal oilFL/FR
 petitgrain bigarade oilFL/FR
 polylimoneneFL/FR
 prenyl salicylateFL/FR
4-isopropyl-2-cyclohexenoneFL/FR
 spruce oilFL/FR
 tansy leaf oil dutch 
 tansy oil argentinaFR
 tea leaf absoluteFL/FR
 thyme oil wild or creepingFL/FR
 treemoss absoluteFR
 tricyclodecenyl propionateFR
potential uses :
 camphor
 cedarleaf
 herbal
 rosemary
 woody
natural occurrence in :    note
 not found in nature  

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