(Z)-jasmone
 
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IUPAC name :3-methyl-2-[(Z)-pent-2-enyl]cyclopent-2-en-1-one
InChI :InChI=1/C11H16O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h4-5H,3,6-8H2,1-2H3/b5-4-
InChIKey :XMLSXPIVAXONDL-PLNGDYQABD
SMILES :CC\C=C/CC1=C(CCC1=O)C
(EINECS) number :207-668-4
cas number :488-10-8
beilstein number :1907713
fema number :3196
coe number :11786
jecfa number :1114
fl. number :07.094
molar refractivity :50.77 ± 0.3 cm3
parachor :413.9 ± 6.0 cm3
index of refraction :1.491 ± 0.02
surface tension :31.1 ± 3.0 dyne/cm
density :0.937 ± 0.06 g/cm3
polarizability :20.12 ± 0.5 10-24cm3
xlogp : 2.30
molecular weight : 164.2441400
formula :C11 H16 O
 
 
IUPAC name :3-methyl-2-[(E)-pent-2-enyl]cyclopent-2-en-1-one
InChI :InChI=1/C11H16O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h4-5H,3,6-8H2,1-2H3/b5-4+
InChIKey :XMLSXPIVAXONDL-SNAWJCMRBK
SMILES :CC\C=C\CC1=C(CCC1=O)C
(EINECS) number :228-410-7
cas number :6261-18-3
fema number :3196
coe number :11786
fl. number :07.219
molar refractivity :50.77 ± 0.3 cm3
parachor :413.9 ± 6.0 cm3
index of refraction :1.491 ± 0.02
surface tension :31.1 ± 3.0 dyne/cm
density :0.937 ± 0.06 g/cm3
polarizability :20.12 ± 0.5 10-24cm3
xlogp : 2.30
molecular weight : 164.2441400
formula :C11 H16 O
 
 
fda reg :172.515 h. number :2914.29.5000
organoleptics : 
odor type :floral
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
woody herbal floral spicy jasmin celery
taste description³ :at 25.00 ppm.  
Woody, bitter, tea, with a citrus and floral nuance
substantivity :68  Hour(s)
properties : 
appearence :colorless to pale yellow clear oily liquid
assay : 97.00 - 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.93600 - 0.94700 @ 25.00 °C.
pounds per gallon - calc. : 7.788 to 7.880
refractive index :1.48900 - 1.50000 @ 20.00 °C.
boiling point : 134.00 - 135.00 °C. @ 12.00 mm Hg
boiling point : 257.00 - 258.00 °C. @ 755.00 mm Hg
logp : 2.91
safety : 
most important hazard(s) : Xi - Irritant
  
Oral Toxicity(LD50) : Oral-Rat    5.00  gm/kg    
Dermal Toxicity(LD50) : Skin-Rabbit  >5.00  gm/kg    
  
flash point ( Deg. F. ) : 225.00  °F.  TCC  ( 107.22 °C. )
  
recommendation for (Z)-jasmone usage levels up to :
  6.0000 % in the fragrance concentrate.
  
recommendation for (Z)-jasmone usage levels up to :
  25.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :207-668-4
rtecs :GY7301000 for 488-10-8
chemidplus :000488108
epa-srs :488-10-8
  
(EINECS) number :228-410-7
chemidplus :006261183
epa-srs :6261-18-3
  
other : 
 
references : 
jecfa number :1114
fl. number :07.094
pubchem :153520
NIST Chemistry WebBook :1381630203
  
fl. number :07.219
pubchem :657431
NIST Chemistry WebBook :2423347290
  
reference : Mosciano, Gerard P&F 15, No. 6, 35, (1990)³
synonyms :
(Z)-jasmone
cis-jasmone
3-methyl-((Z)-2-penten-1-yl)-2-cyclopenten-1-one
3-methyl-(cis-2-penten-1-yl)-2-cyclopenten-1-one
(Z)-3-methyl-2-(2-pentenyl)-2-cyclopenten-1-one
soluble in :
 alcohol
 dipropylene glycol
 water, 1514 mg/L @ 20C
insoluble in :
 water
stability :
 alcoholic fine fragrance, good
 antiperspirant, good
 fabric softener, good
 hypochlorite bleach, poor
 liquid detergent, good
 perborate powder detergent, good
 soap, good
 toiletry application, good
(odor and/or flavor) blends with :
 acetoin
 algae absolute
 allyl amyl glycolate
 amber carbinol
isoamyl benzoate
alpha-amyl cinnamaldehyde
alpha-amyl cinnamyl acetate
alpha-amyl cinnamyl alcohol
 amyl isoeugenol
isoamyl salicylate
 amyris wood oil
 anise indene
para-anisyl acetate
para-anisyl alcohol
 beeswax absolute
 benzyl acetate
 benzyl acetone
 benzyl alcohol
 benzyl benzoate
 benzyl cinnamate
 benzyl phenyl acetate
 benzyl propionate
 benzyl salicylate
3-benzyl-4-heptanone
 bergamot oil
 bois de rose oil
isobutyl benzoate
isobutyl benzyl carbinol
isobutyl cinnamate
3-butyl phthalide
isobutyl salicylate
 camphene
 caraway seed oil
 cardamom absolute
 carrot seed oil
 cedarwood oils
 celery ketone
 celery leaf oil
 celery seed oil
 celery seed oil CO2 extract
 celery undecene
 cinnamon acrolein
 cinnamyl acetate
(E)-cinnamyl acetate
 cinnamyl alcohol
 cistus oil
 citronellol
 citronellyl acetate
 clary sage absolute
 clary sage oil
 clove bud oil
 clover nitrile
 coconut absolute
 coriander seed oil
 costus valerolactone
para-cresyl caprylate
 currant bud absolute black
 cyclamen aldehyde
isocyclocitral
 cyclohexyl ethyl alcohol
alpha-damascone
beta-damascone
gamma-decalactone
 decanal
 decanol
 dihydrojasmone
 dimethyl anthranilate
 dimethyl benzyl carbinyl acetate
 dimethyl benzyl carbinyl butyrate
 dimethyl hydroquinone
 diphenyl oxide
 elder flowers absolute
 ethyl cinnamate
 ethyl phenyl acetate
 eugenol
isoeugenyl acetate
isoeugenyl ethyl acetal
 fir balsam absolute
 floral pyranol
 gardenia oxide
 geraniol
 geranyl acetate
(E)-geranyl acetone
 grapefruit pentanol
 green acetate
 heliotropin
 heliotropyl acetone
 heliotropyl diethyl acetal
gamma-heptalactone
gamma-hexalactone
(Z)-3-hexen-1-yl acetate
(Z)-3-hexen-1-yl benzoate
(Z)-3-hexen-1-yl butyrate
(Z)-3-hexen-1-yl salicylate
(Z)-3-hexen-1-yl tiglate
alpha-hexyl cinnamaldehyde
 hexyl tiglate
 ho leaf oil
 hyacinth ether
 hydroxycitronellal
 indole
 ionones
 jasmin absolute
 jasmin absolute china
 jasmin absolute concrete india
 jasmin absolute concrete italy
 jasmin absolute pommade
 jasmin acetate
 jasmin oil italy
 jasmin pyranol
 jasmin sambac absolute egypt
para-jasmone
 lavender absolute
 leerall
 linalool
laevo-linalool
 linalool oxide
 linalyl acetate
 lovage root absolute
 marigold pot absolute
 marine formate
 methyl anthranilate
4-methyl biphenyl
 methyl cinnamate
 methyl dihydrojasmonate
 methyl hexyl ketone
para-methyl hydratropaldehyde
 methyl ionones
 methyl isoeugenol
1-methyl pyrrole
 mimosa absolute
 muguet carboxaldehyde
 musks
 nerol
 nerolidol
 neryl acetate
gamma-nonalactone
 nonanal
 nonanol
 oakmoss absolute
 ocean propanal
 orris pyridine
 patchouli ethanone
 patchouli indene
 penten-1-yl cyclopentanone
 peony alcohol
 petitgrain bigarade oil
 phenethyl alcohol
 phenethyl phenyl acetate
 phenyl acetaldehyde dimethyl acetal
3-phenyl propionaldehyde
3-phenyl propyl alcohol
1-phenyl propyl butyrate
 polylimonene
4-isopropyl-2-cyclohexenone
3-propylidene phthalide
 raspberry ketone
 raspberry ketone acetate
 raspberry ketone methyl ether
 rhodinol
 rose butanoate
 santall
 spruce oil
 strawberry furanone
 strawberry glycidate 1
 styralyl butyrate
alpha-terpineol
 tetrahydrolinalool
 tobacco dodecane
 tonka bean absolute
 tuberose absolute
 tuberose absolute concrete
gamma-undecalactone
10-undecen-1-al
 vanilla absolute
 verymoss
 violet leaf absolute
 violet methyl carbonate
 wallflower absolute
 watermelon ketone
 woody acetate
 woody amylene
 woody ketone
 ylang ylang absolute
 ylang ylang oil
(odor and/or flavor) used in :
 apricot
 bergamot
 celery
 citrus
 floral
 freshener
 fruit
 herbal
 honey miel
 jasmin
 jonquil narcissus jonquilla
 maple
 mint
 neroli
 orange blossom fleur d'oranger
 peach
 peppermint
 raspberry
 spearmint
 tea
 tobacco tabac tabaco
 tomato
 tuberose tubereuse
 woody
natural occurrence in :
data pageartemisia gypsacea krasch. oil iran @ 0.70%
bergamot
data pagechampaca concrete @ 0.05%
jasmin
data pagejasmin absolute concrete egypt @ 2.23%
data pagejasmin absolute concrete india @ 7.90-9.45%
data pagejasmin absolute concrete italy @ 2.93%
data pagejasmin sambac absolute egypt @ 0.45%
jonquil
data pagelime oil CO2 extract mexico @ trace%
neroli
data pageneroli oil CO2 extract @ 0.15%
data pageosmanthus absolute @ 0.02%
peppermint
data pagepeppermint oil mongolia @ 0.04%
spearmint
data pageyarrow oil @ 1.90%
data pageyarrow oil greece @ 0.80%



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