vetiver pentanone
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Notes :
Vetiver replacer.
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :4-cyclohexyl-4-methylpentan-2-one
InChI :InChI=1/C12H22O/c1-10(13)9-12(2,3)11-7-5-4-6-8-11/h11H,4-9H2,1-3H3
InChIKey :OAFJAALOFJVHMK-UHFFFAOYAW
SMILES :CC(=O)CC(C)(C)C1CCCCC1
cas number :4927-39-3
(EINECS) number :225-562-6
molar refractivity :55.16 ± 0.3 cm3
parachor :480.5 ± 6.0 cm3
index of refraction :1.456 ± 0.02
surface tension :31.4 ± 3.0 dyne/cm
density :0.898 ± 0.06 g/cm3
polarizability :21.86 ± 0.5 10-24cm3
XlogP : 4.60
molecular weight : 182.3024800
formula :C12 H22 O
BioActivity Analysis :134353
 
 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Symrise :Vetival®

organoleptics :
odor type :floral
odor strength :medium
odor description :¹
at 100.00 %.  
floral woody vetiver waxy
odor sample from :Naarden International
substantivity :20  Hour(s)

properties :
appearence :pale yellow clear liquid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.91000 to 0.91600 @ 25.00 °C.
pounds per gallon - calc. : 7.572 to 7.622
refractive index :1.46350 to 1.46950 @ 20.00 °C.
boiling point : 70.00 °C. @ 1.00 mm Hg
boiling point : 241.00 to 243.00 °C. @ 760.00 mm Hg
flash point :> 200.00  °F.  TCC  ( > 93.33 °C. )
logP (o/w) : 3.66

safety :
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

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

safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
 
 
 4-cyclohexyl-4-methylpentan-2-one
(EINECS) number :225-562-6
chemidplus :004927393
EPA Substance Registry Services :4927-39-3
dtp/nci :240005

references :
 4-cyclohexyl-4-methylpentan-2-one
pubchem :655665

Cosmetics :
Cosmetic uses : perfuming agents

other :
reference : Luebke, William tgsc, (1987)¹
CosIng :cosmetic data
synonyms :
4-cyclohexyl methyl-2-pentanone
 cyclohexyl-4-methyl pentan-2-one
4-cyclohexyl-4-methyl pentan-2-one
4-cyclohexyl-4-methyl-2-pentanone
4-cyclohexyl-4-methylpentan-2-one
 vetival
 vetivertone
 vetyval

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 acetoxymethyl isolongifolene
 amber spirolene
 amyris acetate
 bergamot oil bergaptene free
 bergoxane
4-tert-butyl cyclohexane carboxaldehyde
isobutyl furyl propionate
isobutyl ionone
isobutyl quinoline
 cedar cyclododecatriene
 cedryl formate
 cyclohexyl ethyl alcohol
 dihydro-beta-ionol
3',4'-dimethoxyacetophenone
2',4'-dimethyl acetophenone
2,4-dimethyl cyclohexyl methyl acetate
2-(1,1-dimethyl ethyl)-4-methyl cyclohexanol
10-epi-gamma-eudesmol
 formoxymethyl isolongifolene
 freesia heptanol
 grapefruit indene
 grapefruit nitrile
 grapefruit pentanol
 green methanoindene
 herbal norbornane
(E)-2-hexen-1-yl salicylate
 hexyl 2-furoate
 ho wood oil
 immortelle flower oil
alpha-ionol
(E)-beta-ionone
alpha-ionone
beta-ionone
alpha-ionyl acetate
alpha-irone
 lily absolute
 linaloe wood oil mexico
laevo-linalool
 linalool oxide
(Z)-linalool oxide (furanoid)
 methyl beta-ionone
 methyl cedryl ketone
 methyl citronellate
alpha-isomethyl ionol
(E)-beta-methyl ionone
iso-alpha-methyl ionone
(E)-alpha-methyl ionone (50-60%)
 methyl ionone gamma supreme
 methyl ionyl acetate
isomethyl tetrahydroionyl acetate
 muhuhu wood oil
 myrcenyl acetate
 nerolidol
3-nonanon-1-yl acetate
 orangeflower concrete morocco
 orris absolute
 patchouli ethanone
 petitgrain cedrat oil
 phenethyl hexanoate
 phenyl glycol diacetate
 rose concrete
 safrole
 sandal octanol
 sassafras oil
 spicy carbonate
 styralyl formate
 tropical ionone
10-undecen-1-ol
 vetiveryl acetate
 waxy aldehyde
 woody amylene

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

natural occurrence in :
not found in nature



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