herbal ethanone
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IUPAC name :1-(6,6-dimethyl-5-bicyclo[2.2.1]heptanyl)ethanone
InChI :InChI=1/C11H18O/c1-7(12)10-8-4-5-9(6-8)11(10,2)3/h8-10H,4-6H2,1-3H3
InChIKey :NGTMQRCBACIUES-UHFFFAOYAJ
SMILES :CC(=O)C1C2CCC(C2)C1(C)C
cas number :42370-07-0
(EINECS) number :255-779-1
molar refractivity :48.86 ± 0.3 cm3
parachor :406.8 ± 6.0 cm3
index of refraction :1.470 ± 0.02
surface tension :29.3 ± 3.0 dyne/cm
density :0.950 ± 0.06 g/cm3
polarizability :19.37 ± 0.5 10-24cm3
XlogP : 3.30
molecular weight : 166.2600200 (IUPAC)
formula :C11 H18 O
NMR Predictor :Predict
 
 
export tariff code :2914.29.0000
fda reg :unspecified
organoleptics :
odor type :camphoreous
odor description:
at 100.00 %.  		camphor herbal minty woody apple
Luebke, William tgsc, (1987)
odor sample from :International Flavors & Fragrances Inc.
substantivity :16  Hour(s)
properties :
appearence :colorless clear liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.96200 to 0.97000 @ 25.00 °C.
pounds per gallon - calc. : 8.005 to 8.071
specific gravity :0.96300 to 0.97100 @ 20.00 °C.
pounds per gallon - calc. : 8.022 to 8.089
refractive index :1.47500 to 1.47900 @ 20.00 °C.
boiling point : 224.00 to 225.00 °C. @ 760.00 mm Hg
flash point : 171.00  °F.  TCC  ( 77.22 °C. )
logP (o/w) : 2.79
shelf life : 24.00 month(s) or longer if stored properly.
storage :store in cool, dry place in tightly sealed containers, protected from heat and light.
safety :
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :fragrance agents
 
recommendation for herbal ethanone fragrance usage levels up to :
  8.0000 % in the fragrance concentrate.
recommendation for herbal ethanone 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-(6,6-dimethyl-5-bicyclo[2.2.1]heptanyl)ethanone
(EINECS) number :255-779-1
chemidplus :042370070
EPA Substance Registry Services :42370-07-0
references :
 
1-(6,6-dimethyl-5-bicyclo[2.2.1]heptanyl)ethanone
pubchem :740034
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
synonyms :
2-acetyl-3,3-dimethyl norbornane
 camek DH
1-(3,3-dimethyl bicyclo(2.2.1)hept-2-yl) ethan-1-one
 dimethyl bicyclohept-2-yl ethanone
1-(6,6-dimethyl-5-bicyclo[2.2.1]heptanyl)ethanone
 herbal ethanone
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
3-benzyl-4-heptanoneFL/FR
isobornyl acetateFL/FR
isobornyl formateFL/FR
dextro-camphorFL/FR
 camphor oilFL/FR
 chamomile oil moroccoFR
 cubeb oleoresinFL
isodihydrolavandulolCS
isodihydrolavandulyl acetateCS
2,10-epoxypinaneFR
 geranic oxideFL/FR
 herbal dioxaneFR
 herbal undecanolFR
3-hexen-1-yl 2-methyl butyrateFL/FR
 hyssop oilFL/FR
 lavender spike absoluteFL/FR
 marjoram oil sweet cubaFL/FR
 marjoram oil sweet egyptFL/FR
 menthadienyl formateFR
laevo-menthyl acetateFL/FR
 ocimene quintoxideFL/FR
 origanum oilFL/FR
 origanum oil turkeyFL/FR
 patchouli ethanolFR
 patchouli hexanolFR
 pine hexanolFR
 pinocarveolFL/FR
 piperitenone oxideFL
 piperitoneFL/FR
 pulegoneFL/FR
 rosemary absoluteFL/FR
 rosemary oilFL/FR
 rosemary oil moroccoFL/FR
 tansy flower oil canadaFR
 tansy flower oil dutchFR
 tansy oilFR
 thyme oilFL/FR
 thyme oil whiteFL/FR
potential uses :
 cedar
 herbal
 mint
 woody
natural occurrence in :    note
 not found in nature  

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