cinnamyl propionate
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IUPAC name :3-phenylprop-2-enyl propanoate
InChI :InChI=1/C12H14O2/c1-2-12(13)14-10-6-9-11-7-4-3-5-8-11/h3-9H,2,10H2,1H3
InChIKey :KGDJMNKPBUNHGY-UHFFFAOYAA
SMILES :CCC(=O)OCC=CC1=CC=CC=C1
cas number :103-56-0
(EINECS) number :203-124-5
fema number :2301
coe number :414
jecfa number :651
fl. number :09.133
molar refractivity :57.81 ± 0.3 cm3
parachor :454.3 ± 4.0 cm3
index of refraction :1.543 ± 0.02
surface tension :37.6 ± 3.0 dyne/cm
density :1.037 ± 0.06 g/cm3
polarizability :22.91 ± 0.5 10-24cm3
XlogP : 2.80
molecular weight : 190.2383600 (IUPAC)
formula :C12 H14 O2
BioActivity Analysis :99568
NMR Predictor :Predict
 

 
IUPAC name :[(E)-3-phenylprop-2-enyl] propanoate
InChI :InChI=1/C12H14O2/c1-2-12(13)14-10-6-9-11-7-4-3-5-8-11/h3-9H,2,10H2,1H3/b9-6+
InChIKey :KGDJMNKPBUNHGY-RMKNXTFCBG
SMILES :CCC(=O)OC\C=C\C1=CC=CC=C1
cas number :78761-38-3
coe number :414
molar refractivity :57.81 ± 0.3 cm3
parachor :454.3 ± 4.0 cm3
index of refraction :1.543 ± 0.02
surface tension :37.6 ± 3.0 dyne/cm
density :1.037 ± 0.06 g/cm3
polarizability :22.91 ± 0.5 10-24cm3
XlogP : 2.80
molecular weight : 190.2383600 (IUPAC)
formula :C12 H14 O2
BioActivity Analysis :99568
NMR Predictor :Predict
 

 
export tariff code :2915.50.3000
fda reg :172.515

Suppliers :
Apple :Cinnamyl propionate
Berje :Cinnamyl Propionate
Cargill - Alfrebro :CINNAMYL PROPIONATE
natural, Kosher
Elan :cinnamyl propionate
FCC, Kosher
Frutarom :CINNAMYL PROPIONATE
≥98.00%, NI, Kosher
Odor:  Balsamic, Fruity, Spicy, Sweet, Warm, Woody.
Grau Aromatics :CINNAMYL-PROPIONATE
FCC, NI, Kosher
Inoue :CINNAMYL PROPIONATE
Penta :cinnamyl propionate
Vigon :Cinnamyl Propionate
FCC
Odor:  FRUITY, FLORAL

organoleptics :
odor type :spicy
odor strength :medium
odor description :¹
at 100.00 %.  
sweet spicy fruity balsam grape
odor sample from :Elan Chemical, Inc.
substantivity :184  Hour(s)

properties :
appearence :colorless to pale yellow clear liquid
assay : 98.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :1.03000 to 1.03300 @ 25.00 °C.
pounds per gallon - calc. : 8.571 to 8.596
specific gravity :1.02903 to 1.03600 @ 20.00 °C.
pounds per gallon - calc. : 8.573 to 8.631
refractive index :1.53100 to 1.53400 @ 20.00 °C.
boiling point : 288.00 to 289.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
vapor density :6.5 ( Air = 1 )
flash point :> 212.00  °F.  TCC  ( > 100.00 °C. )
logP (o/w) : 3.15

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 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
Oral Toxicity(LD50) :
  Oral-Rat    3400.00  mg/kg

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

Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :3.70 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :25.00 (μg/capita/day)
Structure Class :I
 
recommendation for cinnamyl propionate usage levels up to :
  8.0000 % in the fragrance concentrate.
recommendation for cinnamyl propionate usage levels up to :
  10.0000 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
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 3-phenylprop-2-enyl propanoate
(EINECS) number :203-124-5
RTECS :GE2360000 for 103-56-0
chemidplus :103-56-0
EPA Substance Registry Services :103-56-0
 
 
 [(E)-3-phenylprop-2-enyl] propanoate
RTECS :GE2360000 for 78761-38-3
chemidplus :000103560
EPA Substance Registry Services :78761-38-3
dtp/nci :46120

references :
 3-phenylprop-2-enyl propanoate
fl. number :09.133
jecfa number :651
pubchem :29226481
 [(E)-3-phenylprop-2-enyl] propanoate
NIST Chemistry WebBook :2761466801
pubchem :150743

Cosmetics :
Cosmetic uses : perfuming agents

other :
reference : Luebke, William tgsc, (1985)¹
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
synonyms :
 cinnamyl alcohol propionate
3-phenyl allyl propionate
gamma-phenyl allyl propionate
3-phenyl-2-propen-1-ol propanoate
3-phenyl-2-propen-1-yl propanoate
3-phenyl-2-propen-1-yl propionate
3-phenyl-2-propenyl propanoate
3-phenyl-2-propenyl propionate
3-phenylprop-2-enyl propanoate
 propionic acid cinnamyl ester

soluble in :
 alcohol
 fixed oils

insoluble in :
 water
 propylene glycol
 glycerin

(odor and/or flavor) blends with :
 acetaldehyde benzyl 2-methoxyethyl acetal
 acetaldehyde dihexyl acetal
 acetaldehyde methyl hexyl acetal
 allyl amyl glycolate
 allyl butyrate
 allyl tiglate
isoamyl 3-(2-furan) propionate
 amyl benzoate
isoamyl benzoate
isoamyl butyrate
alpha-amyl cinnamaldehyde diethyl acetal
isoamyl formate
 amyl hexanoate
 amyl isoeugenol
isoamyl isovalerate
isoamyl octanoate
homoanisaldehyde
 anisyl propanal / methyl anthranilate schiff's base
para-anisyl propionate
 benzaldehyde glycrol acetal
 benzyl cinnamate
 benzyl methyl ether
 berry pentadienoate
 buchu mercaptan
 butyl 2-methyl butyrate
isobutyl benzyl carbinol
alpha-butyl cinnamaldehyde
 butyl isobutyrate
isobutyl propionate
 cardamom absolute
 cherry oxyacetate
 cherry pentenoate
 cherry propanol
 chrysanthemum oxide
 cinnamyl acetate
 cinnamyl formate
 cinnamyl isobutyrate
 citral dimethyl acetal
 citronellyl acetate
 citronellyl propionate
 clary sage absolute
 cognac heptanone
para-cresyl isobutyrate
 cumin carbinol
 cuminyl acetaldehyde
beta-cyclocitral
isocyclogeraniol
2-cyclopentyl cyclopentanone
gamma-damascone
alpha-decalactone
 decanal propylene glycol acetal
3-decanone
(E)-4-decen-1-al
2-decen-1-al
3-decen-2-one
9-decenoic acid
 diethyl malonate
 dimethyl benzyl carbinol
 dimethyl benzyl carbinyl butyrate
 dimethyl succinate
6,8-dimethyl-2-nonanol
(E,E)-2,4-dodecadien-1-ol
 earthy acetal
 ethyl (E)-2-hexenoate
 ethyl (E)-2-octenoate
 ethyl (E)-4-decenoate
 ethyl 2-benzyl butyrate
 ethyl 2-cyclohexyl propionate
 ethyl 2-octenoate
 ethyl 2-phenyl-3-furoate
 ethyl 3-acetoxyhexanoate
 ethyl 3,5,5-trimethyl hexanoate
 ethyl acetoacetate
 ethyl benzoyl acetate
 ethyl methyl-para-tolyl glycidate
2-ethyl octine carbonate
O-ethyl S-(2-furyl methyl) thiocarbonate
2-ethyl-4-butanol
isoeugenyl acetate
isoeugenyl ethyl acetal
 farnesyl acetate
 fir carboxylate
 floral butanal
 furfuryl propionate
 geranium oil
 geranyl acetone
(E)-geranyl acetone
 geranyl isobutyrate
 geranyl isovalerate
 grapefruit pentanol
 green dioxolane
 heliotropyl diethyl acetal
(E,E)-2,4-heptadien-1-ol
 heptanal cyclic ethylene acetal
2-heptanol
 heptyl isobutyrate
(E,E)-2,4-hexadien-1-al
 hexanal propylene glycol acetal
2-hexen-1-al
(E)-2-hexen-1-al diethyl acetal
2-hexen-1-al diethyl acetal
2-hexen-1-ol
(Z)-3-hexen-1-yl (E)-2-hexenoate
(Z)-3-hexen-1-yl 2-methyl-2-pentenoate
(E)-2-hexen-1-yl acetate
(E)-3-hexen-1-yl acetate
(Z)-3-hexen-1-yl acetate
2-hexen-1-yl acetate
(E)-2-hexen-1-yl formate
(E)-2-hexen-1-yl hexanoate
(Z)-3-hexen-1-yl hexanoate
(Z)-3-hexen-1-yl isobutyrate
(Z)-3-hexen-1-yl isovalerate
(E)-2-hexen-1-yl propionate
(Z)-3-hexen-1-yl salicylate
(E)-2-hexen-1-yl valerate
(Z)-3-hexen-1-yl valerate
1-hexen-3-yl acetate
 hexyl (E)-2-hexenoate
 hexyl 2-butenoate
 hexyl acetate
 hexyl butyrate
alpha-hexyl cinnamaldehyde
 hexyl isobutyrate
 hexyl isovalerate
 hexyl octanoate
 hexyl pivalate
 hexyl propionate
 hyacinth absolute
 hydroxycitronellal diethyl acetal
 ivy carbaldehyde / methyl anthranilate schiff's base
 ivy dioxolane
 jasmin cyclopentanol
(Z)-jasmone
 jonquil absolute
 lily propanol
 linalyl hexanoate
 marine hexane
 melon valerate
(E)-para-methoxycinnamaldehyde
 methyl (E)-2-hexenoate
 methyl (E)-3-nonenoate
 methyl (E)-3-nonenoate
 methyl 2-hexenoate
 methyl 2-undecynoate
 methyl 4-pentenoate
4-methyl biphenyl
2-methyl butyl 2-methyl butyrate
 methyl cyclocitrone
 methyl furfuracrylate
(E)-methyl geranate
 methyl heptanoate
para-methyl hydratropaldehyde
 methyl octine carbonate
 methyl R-3-acetoxyhexanoate
2-methyl valeraldehyde
 methyl valerate
3-methyl valeric acid
(E)-2-methyl-2-octen-1-al
2-methyl-2-octen-1-al
(±)-3-((2-methyl-3-furyl)thio)-2-butanone
3-methyl-3-pentanol
4-methyl-4-phenyl pentanone
 mimosa absolute
 muguet undecadienal
 neroli oil
 nerolidol
 nerolidyl isobutyrate
 ocean propanal / methyl anthranilate schiff's base
(E,E)-3,5-octadien-2-one
 octanal dimethyl acetal
 octen-1-yl cyclopentanone
 octyl 2-methyl butyrate
 octyl butyrate
 octyl oxyacetaldehyde
 orange leaf absolute
 papaya isobutyrate
 peach pivalate
(E)-2-penten-1-al
2-pentyl furan
 phenoxyethyl isobutyrate
 phenyl acetaldehyde
 phenyl acetaldehyde diisobutyl acetal
2-phenyl propionaldehyde ethylene glycol acetal
4-phenyl-2-butyl acetate
 pineapple pentenoate
 prenol
 prenyl ethyl ether
 prenyl hexanoate
isopropyl 2-methyl butyrate
alpha-isopropyl phenyl acetaldehyde
 rhubarb oxirane
 rhubarb undecane
 rose butanoate
 rose oil
 sorbyl isobutyrate
 styralyl formate
 terpinyl isobutyrate
 tetrahydrofurfuryl butyrate
 thiogeraniol
 tiglaldehyde
 timber dioxolane
 tolualdehydes (mixed o/m/p)
meta-tolyl aldehyde
para-tolyl aldehyde
 tricyclodecenyl acetate
 tricyclodecyl acetate
 tropical indene
 tropical thiazole
 tuberose absolute
 tuberose absolute concrete
isovaleraldehyde propylene glycol acetal
 violet dienyne
 woody acetate
 ylang ylang absolute

(odor and/or flavor) used in :
 apple
 balsam
 banana
 berry
 cherry
 chocolate cocoa
 currant
 floral
 fruit tropical fruit
 grape
 grapefruit
 mandarin
 narcissus narcisse
 orange
 peach
 pear
 vanilla

natural occurrence in :
cinnamon



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