2-hexylidene cyclopentanone
 
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IUPAC name :(2E)-2-hexylidenecyclopentan-1-one
InChI :InChI=1/C11H18O/c1-2-3-4-5-7-10-8-6-9-11(10)12/h7H,2-6,8-9H2,1H3/b10-7+
InChIKey :WZPGQHVPSKTELT-JXMROGBWBI
SMILES :CCCCCC=C1CCCC1=O
(EINECS) number :241-411-7
cas number :17373-89-6
fema number :2573
coe number :167
jecfa number :1106
fl. number :07.034
molar refractivity :52.60 ± 0.3 cm3
parachor :430.0 ± 6.0 cm3
index of refraction :1.536 ± 0.02
surface tension :42.4 ± 3.0 dyne/cm
density :0.986 ± 0.06 g/cm3
polarizability :20.85 ± 0.5 10-24cm3
xlogp : 3.10
molecular weight : 166.2600200
formula :C11 H18 O
 
 
export tariff code :unspecified
fda reg :unspecified
 

organoleptics :
odor type :floral
odor strength :medium ,
recommend smelling in a 1.00 % solution or less
odor description :
at 1.00 % in dipropylene glycol.  
warm jasmin spicy fruity

properties :
appearence :pale yellow clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.91100 to 0.91600 @ 25.00 °C.
pounds per gallon - calc. : 7.580 to 7.622
boiling point : 257.00 to 258.00 °C. @ 760.00 mm Hg
logp : 3.07

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) : 225.00  °F.  TCC  ( 107.22 °C. )
IFRA critical Effect :Sensitization
limits in the finished product for - "leave on the skin contact" :
  0.0600 % Restriction.
limits in the finished product for - "wash off the skin contact" :
  0.0600 % Restriction.
limits in the finished product for - "no skin contact" :
  0.6000 % Restriction.
recommendation for 2-hexylidene cyclopentanone usage levels up to :
  0.6000 % in the fragrance concentrate.

safety references :
EPI System :view
IFRA :IFRA - ( Found under : alpha-Hexylidene cylcopentanone )
 
 
 (2E)-2-hexylidenecyclopentan-1-one
(EINECS) number :241-411-7
chemidplus :017373896
EPA Substance Registry Services :17373-89-6
NLM Chemical Carcinogenesis Research Information System :17373-89-6
NLM Developmental and Reproductive Toxicity :17373-89-6
NLM Env. Mutagen Info. Center :17373-89-6
NLM GENetic TOXicology :17373-89-6

references :
 (2E)-2-hexylidenecyclopentan-1-one
jecfa number :1106
fl. number :07.034
pubchem :204605

other :
synonyms :
2-hexylidene cyclopentan-1-one
2-hexylidene cyclopentanone
alpha-hexylidene cyclopentanone
 jasmalone

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
alpha-amyl cinnamaldehyde
alpha-amyl cinnamaldehyde diethyl acetal
alpha-amyl cinnamaldehyde dimethyl acetal
alpha-amyl cinnamyl acetate
alpha-amyl cinnamyl alcohol
 amyl cyclopentanone propanone
 amyl cyclopentenone
para-anisaldehyde dimethyl acetal
para-anisyl methyl ketone
 autumn carboxylate
 benzyl acetate
 benzyl acetone
 benzyl butyrate
 benzyl formate
 benzyl hexanoate
 benzyl isobutyrate
 benzyl methyl tiglate
 benzyl phenyl acetate
 benzyl propionate
 berry hexanoate
alpha-butyl cinnamaldehyde
 cadinadiene
 chrysanthemum oxide
 cinnamyl propionate
 creamy lactone
para-cresyl caprylate
 decen-1-yl cyclopentanone
3-decen-2-one
 dihydroisojasmonate
 dihydrojasmone lactone
 dimethyl benzyl carbinyl acetate
 dimethyl benzyl carbinyl formate
 dimethyl benzyl carbinyl isobutyrate
 dimethyl benzyl carbinyl propionate
 ethyl cinnamate
5-ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one
5-ethyl-3,4,5,6-tetramethyl cyclohexen-2-one
 freesia acetate
 fruity cyclopentanone
 gardenia oxide
 green methanoindene
 hawthorn ethanol
2-heptanone
2-heptyl cyclopentanone
 herbal carbonate
 herbal pyran
 hexahydrofarnesyl acetone
(Z)-3-hexen-1-yl anthranilate
 hexen-1-yl cyclopentanone
2-hexen-1-yl cyclopentanyl acetate
 hexyl 3-mercaptobutanoate
alpha-hexyl cinnamaldehyde
 indoletal
 jasmin absolute
 jasmin absolute chassis
 jasmin absolute china
 jasmin absolute concrete india
 jasmin absolute concrete italy
 jasmin absolute pommade
 jasmin acetate
 jasmin acetoacetate
 jasmin cyclopentanol
 jasmin cyclopentanone
 jasmin lactone
 jasmin nonane
 jasmin pyranol
 jasmin pyranone
 jasmin sambac absolute egypt
(Z)-jasmone
isojasmone
para-jasmone
 lavender absolute
 methyl dihydrojasmonate
 methyl epi-jasmonate
 methyl jasmonate
 mimosa heptanal
 narcissus absolute
3-nonanone
 nonisyl acetate
 octanal diethyl acetal
 octen-1-yl cyclopentanone
 octyl butyrate
 peach nitrile
 pear valerate
2-pentadecanone
 penten-1-yl cyclopentanone
2-pentyl cyclopentanone
1-phenyl propyl butyrate
(Z,E)-phytol
 prenyl acetate
 privet dioxane
 propyl 2-furan acrylate
 rhodinyl isobutyrate
 rose carboxylate
 spicy acetoacetate
 styralyl butyrate
 styralyl isobutyrate
 tetrahydrojasmone
 tolu balsam oil
 waxy lactone

(odor and/or flavor) used in :
 herbal
 jasmin
 spice

natural occurrence in :
not found in nature



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