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
formula :C11 H18 O
 
 
export tariff code :2914.29.0000
fda reg :unspecified

organoleptics :
odor type :camphoreous
odor strength :medium
odor description :¹
at 100.00 %.  
camphor herbal minty woody apple
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 :
 
recommendation for herbal ethanone usage levels up to :
  8.0000 % in the fragrance concentrate.
recommendation for herbal ethanone 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 :
reference : Luebke, William tgsc, (1987)¹
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

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
3-benzyl-4-heptanone
isobornyl acetate
isobornyl formate
dextro-camphor
 camphor oil
 chamomile oil morocco
 cubeb oleoresin
isodihydrolavandulol
isodihydrolavandulyl acetate
2,10-epoxypinane
 geranic oxide
 herbal dioxane
 herbal undecanol
3-hexen-1-yl 2-methyl butyrate
 hyssop oil
 lavender spike absolute
 marjoram oil sweet cuba
 marjoram oil sweet egypt
 menthadienyl formate
laevo-menthyl acetate
 ocimene quintoxide
 origanum oil
 origanum oil turkey
 patchouli ethanol
 patchouli hexanol
 pine hexanol
 pinocarveol
 piperitenone oxide
 piperitone
 pulegone
 rosemary absolute
 rosemary oil
 rosemary oil morocco
 tansy flower oil canada
 tansy flower oil dutch
 tansy oil
 thyme oil
 thyme oil white

(odor and/or flavor) used in :
 cedar
 herbal
 mint
 woody

natural occurrence in :
not found in nature



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