methyl (Z)-jasmonate 20073-13-6

methyl (Z)-jasmonate

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IUPAC name :

methyl 2-[3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate

InChI :

InChI=1/C13H20O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h4-5,10-11H,3,6-9H2,1-2H3/b5-4-

InChIKey :

GEWDNTWNSAZUDX-PLNGDYQABD

SMILES :

CC\C=C/CC1C(CCC1=O)CC(=O)OC

cas number :	20073-13-6
(EINECS) number :	243-497-1
molar refractivity :	62.20 ± 0.3 cm3
parachor :	535.3 ± 6.0 cm3
index of refraction :	1.468 ± 0.02
surface tension :	32.9 ± 3.0 dyne/cm
density :	1.003 ± 0.06 g/cm3
polarizability :	24.66 ± 0.5 10-24cm3
XlogP :	2.10
molecular weight :	224.2961000
formula :	C13 H20 O3
NMR Predictor :	Predict

export tariff code :

unspecified

fda reg :

unspecified

organoleptics :

properties :

appearence :

colorless to pale yellow clear liquid

assay :

90.00 to 100.00 %

Food Chemicals Codex Listed :

boiling point :

299.00 to 302.00 °C. @ 760.00 mm Hg

flash point :

263.00 °F. TCC ( 128.33 °C. )

logP (o/w) :

2.10

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 25 - Avoid contact with eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

Inhalation Toxicity(LC50) :

Not determined

safety in use :

safety references :

EPA Chem. Sub. Inventory :

Yes

WGK Germany :

methyl 2-[3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate

(EINECS) number :

243-497-1

chemidplus :

020073136

EPA Substance Registry Services :

20073-13-6

references :

methyl 2-[3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate

NIST Chemistry WebBook :

2989105837

pubchem :

10363951

other :

VCF-Online:

VCF Volatile Compounds in Food

synonyms :
(±)-	cyclopentane acetic acid 3-oxo-trans-2-(cis-2-pentenyl) methyl ester
(-)-	jasmonic acid methyl ester
	methyl (-)-jasmonate
	methyl (1alpha,2beta(Z))-(1)-3-oxo-2-(pent-2-enyl) cyclopentane acetate
	methyl 2-[3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate
	methyl 3-oxo-2-(2Z)-2-pentenyl-(±)-cyclopentane acetic acid methyl ester
	methyl cis-jasmonate
(-)-	methyl jasmonate
(odor and/or flavor) blends with :
	acetaldehyde ethyl phenethyl acetal
	algae absolute
	allyl amyl glycolate
	allyl cyclohexyl acetate
	allyl cyclohexyl propionate
	amber carbinol
iso	amyl 3-(2-furan) propionate
	amyl benzoate
iso	amyl benzoate
iso	amyl salicylate
	amyris wood oil
	anise seed oil
para-	anisyl acetate
para-	anisyl alcohol
	anisyl propanal / methyl anthranilate schiff's base
	basil oil
	bay leaf oil
	benzyl acetate
	benzyl methyl ether
	benzyl propionate
	bergamot oil
	blood orange oil
	bois de rose oil
iso	butyl benzyl carbinol
alpha-	butyl cinnamaldehyde
iso	butyl cinnamate
iso	butyl salicylate
	caraway seed oil
	carrot seed oil
	chrysanthemum oxide
	cinnamyl alcohol
	cinnamyl formate
	citral dimethyl acetal
	citronellol
	citronellyl acetate
	citronellyl propionate
	clary sage absolute
	clary sage oil
	clover nitrile
	coriander seed oil
	cumin carbinol
	cuminyl acetaldehyde
	cyclamen aldehyde
	cyclohexyl ethyl alcohol
	cyclohexyl propionate
gamma-	decalactone
	decanal
	decanal diethyl acetal
	decanal propylene glycol acetal
	decanol
3-	decanone
(E)-4-	decen-1-al
2-	decen-1-al
9-	decenoic acid
	dihydrojasmone
	dimethyl anthranilate
	dimethyl benzyl carbinol
	dimethyl benzyl carbinyl butyrate
	dimethyl benzyl carbinyl isobutyrate
	dimethyl succinate
6,8-	dimethyl-2-nonanol
	dodecanol
	earthy acetal
	ethyl (E,Z)-2,4-decadienoate
	ethyl 2-benzyl butyrate
	ethyl 2-octenoate
	ethyl cinnamate
	ethyl heptanoate
	ethyl methyl-para-tolyl glycidate
2-	ethyl octine carbonate
	ethyl phenyl acetate
	farnesyl acetate
	fir balsam absolute
	floral butanal
	floral pyranol
	fruity cyclopentanone
1-	furfuryl pyrrole
	galbanum oil
	galbanum oxathiane
	gardenia absolute
	gardenia decalone
	geraniol
	geranium oil
	geranyl acetate
	geranyl acetone
	geranyl isobutyrate
	grape butyrate
	grapefruit pentanol
	green acetate
	heliotropyl acetone
3-	heptyl dihydro-5-methyl-2(3H)-furanone
	heptyl formate
(Z)-3-	hexen-1-ol
(Z)-3-	hexen-1-yl acetate
(Z)-3-	hexen-1-yl formate
(E)-2-	hexen-1-yl isovalerate
(Z)-3-	hexen-1-yl salicylate
(Z)-3-	hexen-1-yl tiglate
	hexyl 2-furoate
	hexyl 2-methyl butyrate
alpha-	hexyl cinnamaldehyde
	hexyl octanoate
	hexyl phenyl acetate
	hexyl tiglate
	hyacinth absolute
	hyacinth ether
	hydroxycitronellal
	hydroxycitronellal diethyl acetal
	hydroxycitronellal dimethyl acetal
	ionones
	ivy carbaldehyde / methyl anthranilate schiff's base
	ivy dioxolane
	jasmin cyclopentanol
	jonquil absolute
	leaf acetal
	leerall
	lily pentanal
	linalool
laevo-	linalool
	linalool oxide
	linalyl acetate
	marine hexane
	marine pyridine
	mcp acetate
	melon heptenal
	melon nonenoate
	methyl 2-undecynoate
2-	methyl butyl 2-methyl butyrate
	methyl butyl phenyl acetate
	methyl cyclocitrone
(E)-	methyl geranate
2-	methyl heptanoic acid
	methyl heptenone
	methyl heptine carbonate
para-	methyl hydratropaldehyde
	methyl jasmonate
	methyl octanoate
	methyl octine carbonate
2-	methyl undecanal dimethyl acetal
4-	methyl-4-phenyl pentanone
	mimosa absolute
	muguet carboxaldehyde
	muguet octadienol
	muguet shiseol
	muguet undecadienal
	musks
	nerol
	neroli oil
	nerolidol
(E)-	nerolidol
	neryl acetate
	neryl butyrate
(E,Z)-2,6-	nonadien-1-al
(E,Z)-2,6-	nonadien-1-ol
(E,Z)-3,6-	nonadien-1-yl acetate
3,6-	nonadien-1-yl acetate
	nonanol
2-	nonanol
(E)-2-	nonen-1-ol
(Z)-3-	nonen-1-ol
(Z)-6-	nonen-1-ol
	ocean propanal
	ocean propanal / methyl anthranilate schiff's base
	octanal dimethyl acetal
	octanol
(E)-2-	octen-1-al
(Z)-5-	octen-1-ol
	octyl oxyacetaldehyde
	orange leaf absolute
	orange oil
	papaya isobutyrate
	patchouli ethanone
	peach pivalate
	peony alcohol
	phenethyl alcohol
	phenethyl isobutyrate
	phenethyl octanoate
	phenethyl phenyl acetate
	phenyl acetaldehyde
	phenyl acetaldehyde diisobutyl acetal
	phenyl acetaldehyde dimethyl acetal
	phenyl acetaldehyde ethylene glycol acetal
3-	phenyl propionaldehyde
2-	phenyl propionaldehyde ethylene glycol acetal
3-	phenyl propyl alcohol
	raspberry ketone methyl ether
	rhodinol
	rose butanoate
	rose oxides
	santall
	styralyl acetate
	styralyl formate
	sweet pea absolute
alpha-	terpineol
	terpinyl isobutyrate
(E)-2-	tetradecen-1-al
	tetrahydrolinalool
	tricyclodecenyl acetate
gamma-	undecalactone
10-	undecen-1-al
iso	valeraldehyde propylene glycol acetal
	vanilla absolute
	vanillyl acetate
	violet leaf absolute
	violet methyl carbonate
	watermelon ketone
	woody acetate
	woody amylene
(odor and/or flavor) used in :
	apple
	apricot
	floral
	gardenia
	grease
	herbal
	honeysuckle chevrefeuille
	jasmin
	lilac lilas syringa
	lily
	melon watermelon muskmelon cantaloupe
	muguet lily of the valley
	pear
	petal flower petal
	plum
	tutti frutti
natural occurrence in :
data page	carnation absolute @ <0.01%
data page	champaca absolute @ 0.20%
data page	champaca concrete @ 0.06%
	jasmin
data page	jasmin absolute concrete egypt @ 0.60%
data page	jasmin absolute concrete india @ 5.12-7.20%
data page	jasmin absolute concrete italy @ 3.07%
data page	neroli oil CO2 extract @ 0.03%
	tea green tea

information only - not sold by The Good Scents Company.

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