propyl 2,4-decadienoate
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IUPAC name :propyl deca-2,4-dienoate
InChI :InChI=1/C13H22O2/c1-3-5-6-7-8-9-10-11-13(14)15-12-4-2/h8-11H,3-7,12H2,1-2H3
InChIKey :RKDOXCGYGLYOBV-UHFFFAOYAD
SMILES :CCCOC(=O)C=CC=CCCCCC
cas number :84788-08-9
(EINECS) number :284-147-8
fema number :3648
coe number :10889
jecfa number :1194
fl. number :09.840
molar refractivity :64.16 ± 0.3 cm3
parachor :548.5 ± 4.0 cm3
index of refraction :1.461 ± 0.02
surface tension :30.2 ± 3.0 dyne/cm
density :0.899 ± 0.06 g/cm3
polarizability :25.43 ± 0.5 10-24cm3
XlogP : 4.70
molecular weight : 210.3125800 (IUPAC)
formula :C13 H22 O2
NMR Predictor :Predict
 
 
IUPAC name :propyl (2E,4E)-deca-2,4-dienoate
InChI :InChI=1/C13H22O2/c1-3-5-6-7-8-9-10-11-13(14)15-12-4-2/h8-11H,3-7,12H2,1-2H3/b9-8+,11-10+
InChIKey :RKDOXCGYGLYOBV-BNFZFUHLBX
SMILES :CCCCC\C=C\C=C\C(=O)OCCC
cas number :84788-08-9  (E)
(EINECS) number :284-147-8
fema number :3648
fl. number :09.840
molar refractivity :64.16 ± 0.3 cm3
parachor :548.5 ± 4.0 cm3
index of refraction :1.461 ± 0.02
surface tension :30.2 ± 3.0 dyne/cm
density :0.899 ± 0.06 g/cm3
polarizability :25.43 ± 0.5 10-24cm3
XlogP : 4.70
molecular weight : 210.3125800 (IUPAC)
formula :C13 H22 O2
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Penta :propyl-2,4-decadienoate
organoleptics :
odor type :fruity
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description:
at 10.00 % in dipropylene glycol.  		fatty melon green pear
odor description:
Fatty, melon, green, pear with fresh vegetable nuances
Mosciano, Gerard P&F 15, No. 4, 59, (1990)
taste description:
at 10.00 ppm.  		Melon, green, pear, with waxy tropical nuances
Mosciano, Gerard P&F 15, No. 4, 59, (1990)
properties :
appearence :colorless to pale yellow clear liquid
assay : 95.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.91300 to 0.91900 @ 25.00 °C.
pounds per gallon - calc. : 7.597 to 7.647
refractive index :1.46800 to 1.47500 @ 20.00 °C.
boiling point : 110.00 °C. @ 0.40 mm Hg
acid value : 1.00  max.  KOH/g
flash point : 262.00  °F.  TCC  ( 127.78 °C. )
logP (o/w) : 5.05
safety :
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.77 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :ND (μg/capita/day)
Structure Class :I
 
recommendation for propyl 2,4-decadienoate fragrance usage levels up to :
  1.0000 % in the fragrance concentrate.
recommendation for propyl 2,4-decadienoate flavor 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
 
 
 
 
propyl deca-2,4-dienoate
(EINECS) number :284-147-8
chemidplus :084788089
EPA Substance Registry Services :84788-08-9
 
propyl (2E,4E)-deca-2,4-dienoate
references :
 
propyl deca-2,4-dienoate
fl. number :09.840
jecfa number :1194
pubchem :199611
 
propyl (2E,4E)-deca-2,4-dienoate
fl. number :09.840
pubchem :39384564
other :
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
2,4-decadienoic acid propyl ester
 propyl (2E,4E)-deca-2,4-dienoate
 propyl deca-2,4-dienoate
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
 acetaldehyde methyl hexyl acetalFR
isoamyl butyrateFL/FR
 amyl hexanoateFL/FR
 apple crotonateFR
 butyl isovalerateFL/FR
(E)-carveolFL/FR
laevo-carveolFL/FR
laevo-carvoneFL/FR
(Z)-carvone-5,6-oxideFL/FR
 carvyl acetateFL/FR
 dihydrocarveolFL/FR
dextro-dihydrocarvoneFL/FR
 dill seed oilFL
 ethyl (E,Z)-2,4-decadienoateFL/FR
 ethyl (E)-2-decenoateFL/FR
 ethyl (E)-4-octenoateFL/FR
 ethyl (Z)-3-hexenoateFL/FR
 ethyl 2-cyclohexyl propionateFR
 ethyl cyclohexane propionateFL/FR
 ethyl octanoateFL/FR
 heptyl acetateFL/FR
 hexanal diethyl acetalFL/FR
(Z)-3-hexen-1-yl (Z)-3-hexenoateFL/FR
(E)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
2-hexen-1-yl cyclopentanyl acetateFR
(Z)-3-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
(E)-2-hexen-1-yl isovalerateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl valerateFL/FR
 hexyl 2-butenoateFL/FR
 hexyl 2-furoateFL/FR
 hexyl isobutyrateFL/FR
 hexyl propionateFL/FR
 linalyl hexanoateFL/FR
 melon carboxaldehydeFR
 melon nonenoateFL/FR
 melon octenoateFL/FR
 melon valerateFL/FR
(Z+E)-para-1(7)8-menthadien-2-yl acetateFL
3-mercaptohexyl acetateFL
 methyl (E)-3-nonenoateFL/FR
 methyl (E)-3-nonenoateFL
 methyl 2,4-decadienoateFL/FR
 methyl nonanoateFL
 methyl octenoateFL/FR
 mint lactoneFL/FR
 musk propanoateFR
 nerolidyl isobutyrateFR
2,4-nonadien-1-olFL/FR
(E,Z)-3,6-nonadien-1-yl acetateFL/FR
3,6-nonadien-1-yl acetateFL/FR
(Z)-3-nonen-1-olFL/FR
(Z)-6-nonen-1-yl acetateFL/FR
(E,E)-2,4-octadien-1-alFL
2,4-octadien-1-alFL
(Z)-3-octen-1-yl propionateFL/FR
 pear notes 
 pear valerateFR
 propyl acetateFL/FR
 propyl heptanoateFL/FR
isopropyl isobutyrateFL/FR
 sorbyl isobutyrateFL/FR
 spearmint absoluteFL/FR
 spearmint oilFL/FR
 spearmint oil terpenelessFL/FR
 tetrahydrocarvoneFL/FR
(E)-2-tridecen-1-yl acetateFL/FR
 watermelon ketoneFR
potential uses :
 apricot
 fruit tropical fruit
 melon watermelon muskmelon cantaloupe
 peach
 pear
natural occurrence in :    note
 brandy pear brandy  
 pear  

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