(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
cas number :488-10-8
(EINECS) number :207-668-4
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 (IUPAC)
formula :C11 H16 O
pherobase floral:view
NMR Predictor :Predict
 
 
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
cas number :6261-18-3
(EINECS) number :228-410-7
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 (IUPAC)
formula :C11 H16 O
pherobase floral:view
NMR Predictor :Predict
 
 
export tariff code :2914.29.5000
fda reg :172.515
Suppliers :
Apple :cis-jasmone
Bedoukian Research :cis-JASMONE
≥99.5% (sum of isomers), Kosher
Odor:  A very diffusive jasmine, celery seed note
Widely used in jasmine compositions.
Flavor:  woody bitter tea
A versatile item used for bruised, ripe, pit notes such as in peach, apricot and cooked fruit.
Berje :cis-Jasmone
Citrus and Allied Essences :cis-Jasmone
Fontarome :CIS-JASMONE
Odor:  Warm & spicy, diffusive floral tenacity
Givaudan :Jasmone Cis
Odor:  Floral, Green, Jasmine, Warm
Jasmone Cis is widely used in the creation of high quality florals like jasmine and tuberose. Also used in the reconstitution of synthetic essential oils.
Moellhausen :cis-jasmone
>99% min. nature identical kosher
Odor:  very natural floral, fruity; real character of jasmin flowers
Flavor:  woody, bitter, tea, with a citrus and floral (jasmin-like) nuance
Penta :cis-jasmone
SAFC Global® :cis-Jasmone
≥85%, Kosher, FG
Odor:  jasmine; fruity
Takasago :cis-Jasmone
≥90% as cis-Jasmone
Odor:  Jasmine-like
Used in floral fragrances, like jasmine and tuberose. Also used to give a fruity and minty effect.
Vigon :Jasmone Cis
Odor:  Floral, Green, Jasmine, Warm
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
Luebke, William tgsc, (1987)
odor sample from :Takasago International Corp
odor description:
Woody, herbal and floral, with a citrus nuance
Mosciano, Gerard P&F 15, No. 6, 35, (1990)
taste description:
at 25.00 ppm.  		Woody, bitter, tea, with a citrus and floral nuance
Mosciano, Gerard P&F 15, No. 6, 35, (1990)
substantivity :68  Hour(s)
properties :
appearence :colorless to pale yellow clear oily liquid
assay : 98.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.94200 to 0.94800 @ 25.00 °C.
pounds per gallon - calc. : 7.838 to 7.888
refractive index :1.49500 to 1.50100 @ 20.00 °C.
boiling point : 134.00 to 135.00 °C. @ 12.00 mm Hg
boiling point : 257.00 to 258.00 °C. @ 755.00 mm Hg
vapor pressure :0.01300 mm/Hg @ 20.00 °C.
vapor density :>1 ( Air = 1 )
flash point : 225.00  °F.  TCC  ( 107.22 °C. )
logP (o/w) : 2.91
safety :
most important hazard(s) :Xi - Irritant
  R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
Human experience : 8 % solution: no irritation or sensitization.
Oral Toxicity(LD50) : 
  Oral-Rat    5000.00  mg/kg

Dermal Toxicity(LD50) : 
  Skin-Rabbit  >5000.00  mg/kg

Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :13.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :7.20 (μg/capita/day)
Structure Class :II
 
recommendation for (Z)-jasmone fragrance usage levels up to :
  6.0000 % in the fragrance concentrate.
recommendation for (Z)-jasmone flavor usage levels up to :
  25.0000 ppm in the flavor.
safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
Env. Mutagen Info. Center :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 
3-methyl-2-[(Z)-pent-2-enyl]cyclopent-2-en-1-one
(EINECS) number :207-668-4
RTECS :GY7301000 for cas# 488-10-8
chemidplus :000488108
EPA Substance Registry Services :488-10-8
 
 
 
3-methyl-2-[(E)-pent-2-enyl]cyclopent-2-en-1-one
(EINECS) number :228-410-7
chemidplus :006261183
EPA Substance Registry Services :6261-18-3
references :
 
3-methyl-2-[(Z)-pent-2-enyl]cyclopent-2-en-1-one
fl. number :07.094
jecfa number :1114
NIST Chemistry WebBook :1381630203
pubchem :153520
 
3-methyl-2-[(E)-pent-2-enyl]cyclopent-2-en-1-one
fl. number :07.219
NIST Chemistry WebBook :2423347290
pubchem :657431
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
RIFM :listed
FMA :listed
FDA Everything Added to Food in the United States (EAFUS)View
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
3-methyl-2-[(Z)-pent-2-enyl]cyclopent-2-en-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
potential blenders :    note
 acetoinFL/FR
 algae absoluteFR
 allyl amyl glycolateFR
 amber carbinolFR
isoamyl benzoateFL/FR
alpha-amyl cinnamaldehydeFL/FR
alpha-amyl cinnamyl acetateFL/FR
alpha-amyl cinnamyl alcoholFL/FR
 amyl isoeugenolFR
isoamyl salicylateFL/FR
 amyris wood oilFL/FR
 anise indeneFR
para-anisyl acetateFL/FR
para-anisyl alcoholFL/FR
 beeswax absoluteFL/FR
 benzyl acetateFL/FR
 benzyl acetoneFL/FR
 benzyl alcoholFL/FR
 benzyl benzoateFL/FR
 benzyl cinnamateFL/FR
 benzyl phenyl acetateFL/FR
 benzyl propionateFL/FR
 benzyl salicylateFL/FR
3-benzyl-4-heptanoneFL/FR
 bergamot oilFL/FR
 bois de rose oilFL/FR
isobutyl benzoateFL/FR
isobutyl benzyl carbinolFL/FR
isobutyl cinnamateFL/FR
3-butyl phthalideFL/FR
isobutyl salicylateFL/FR
 campheneFL/FR
 caraway seed oilFL/FR
 cardamom absoluteFL/FR
 carrot seed oilFL/FR
 cedarwood oils 
 celery ketoneFL/FR
 celery leaf oilFL/FR
 celery seed oilFL/FR
 celery seed oil CO2 extractFL/FR
 celery undeceneFR
 cinnamon acroleinFL/FR
 cinnamyl acetateFL/FR
(E)-cinnamyl acetateFL/FR
 cinnamyl alcoholFL/FR
 cistus oilFL/FR
 citronellolFL/FR
 citronellyl acetateFL/FR
 clary sage absoluteFL/FR
 clary sage oilFL/FR
 clove bud oilFL/FR
 clover nitrileFR
 coconut absoluteFL/FR
 coriander seed oilFL/FR
 costus valerolactoneFR
para-cresyl caprylateFL/FR
 currant bud absolute blackFL/FR
 cyclamen aldehydeFL/FR
isocyclocitralFL/FR
 cyclohexyl ethyl alcoholFL/FR
alpha-damasconeFL/FR
beta-damasconeFL/FR
gamma-decalactoneFL/FR
 decanalFL/FR
 decanolFL/FR
 dihydrojasmoneFL/FR
 dimethyl anthranilateFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 dimethyl hydroquinoneFL/FR
 diphenyl oxideFL/FR
 elder flowers absoluteFR
 ethyl cinnamateFL/FR
 ethyl phenyl acetateFL/FR
 eugenolFL/FR
isoeugenyl acetateFL/FR
isoeugenyl ethyl acetalFR
 fir balsam absoluteFR
 floral pyranolFR
 gardenia oxideFR
 geraniolFL/FR
 geranyl acetateFL/FR
(E)-geranyl acetoneFL/FR
 grapefruit pentanolFR
 green acetateFR
 heliotropinFL/FR
 heliotropyl acetoneFL/FR
 heliotropyl diethyl acetalFR
gamma-heptalactoneFL/FR
gamma-hexalactoneFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl benzoateFL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
(Z)-3-hexen-1-yl tiglateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 hexyl tiglateFL/FR
 ho leaf oilFR
 hyacinth etherFR
 hydroxycitronellalFL/FR
 indoleFL/FR
 ionones 
 jasmin absoluteFL/FR
 jasmin absolute chinaFL/FR
 jasmin absolute concrete indiaFL/FR
 jasmin absolute concrete italyFL/FR
 jasmin absolute pommadeFL/FR
 jasmin acetateFL/FR
 jasmin oil italyFL/FR
 jasmin pyranolFR
 jasmin sambac absolute egyptFL/FR
para-jasmoneFR
 lavender absoluteFL/FR
 leerallFR
 linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 linalyl acetateFL/FR
 lovage root absoluteFL
 marigold pot absoluteFL/FR
 marine formateFR
 methyl anthranilateFL/FR
4-methyl biphenylFL
 methyl cinnamateFL/FR
 methyl dihydrojasmonateFL/FR
 methyl hexyl ketoneFL/FR
para-methyl hydratropaldehydeFL/FR
 methyl ionones 
 methyl isoeugenolFL/FR
1-methyl pyrroleFL
 mimosa absoluteFL/FR
 muguet carboxaldehydeFR
 musks 
 nerolFL/FR
 nerolidolFL/FR
 neryl acetateFL/FR
gamma-nonalactoneFL/FR
 nonanalFL/FR
 nonanolFL/FR
 oakmoss absoluteFL/FR
 ocean propanalFL/FR
 orris pyridineFR
 patchouli ethanoneFR
 patchouli indeneFR
 penten-1-yl cyclopentanoneFR
 peony alcoholFR
 petitgrain bigarade oilFL/FR
 phenethyl alcoholFL/FR
 phenethyl phenyl acetateFL/FR
 phenyl acetaldehyde dimethyl acetalFL/FR
3-phenyl propionaldehydeFL/FR
3-phenyl propyl alcoholFL/FR
1-phenyl propyl butyrateFL/FR
 polylimoneneFL/FR
4-isopropyl-2-cyclohexenoneFL/FR
3-propylidene phthalideFL/FR
 raspberry ketoneFL/FR
 raspberry ketone acetateFL/FR
 raspberry ketone methyl etherFL/FR
 rhodinolFL/FR
 rose butanoateFL/FR
 santallFR
 spruce oilFL/FR
 strawberry furanoneFL/FR
 strawberry glycidate 1FL/FR
 styralyl butyrateFL/FR
alpha-terpineolFL/FR
 tetrahydrolinaloolFL/FR
 tobacco dodecaneFR
 tonka bean absoluteFR
 tuberose absoluteFL/FR
 tuberose absolute concreteFL/FR
gamma-undecalactoneFL/FR
10-undecen-1-alFL/FR
 vanilla absoluteFL/FR
 verymossFR
 violet leaf absoluteFL/FR
 violet methyl carbonateFR
 wallflower absoluteFR
 watermelon ketoneFR
 woody acetateFR
 woody amyleneFR
 woody ketoneFL/FR
 ylang ylang absoluteFL/FR
 ylang ylang oilFL/FR
potential uses :
 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 :    note
data pageartemisia gypsacea krasch. oil iran @ 0.70% S
 bergamot  
data pagechampaca concrete @ 0.05% S
 jasmin  
data pagejasmin absolute concrete egypt @ 2.23% S
data pagejasmin absolute concrete india @ 7.90-9.45% S
data pagejasmin absolute concrete italy @ 2.93% S
data pagejasmin sambac absolute egypt @ 0.45% S
 jonquil S
data pagelime oil CO2 extract mexico @ trace% S
 neroli  
data pageneroli oil CO2 extract @ 0.15% S
data pageosmanthus absolute @ 0.02% S
 peppermint S
data pagepeppermint oil mongolia @ 0.04% S
 spearmint  
data pageyarrow oil @ 1.90% S
data pageyarrow oil greece @ 0.80% S

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