allyl nonanoate
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IUPAC name :prop-2-enyl nonanoate
InChI :InChI=1/C12H22O2/c1-3-5-6-7-8-9-10-12(13)14-11-4-2/h4H,2-3,5-11H2,1H3
InChIKey :MFLWLDDOGSNSKO-UHFFFAOYAJ
SMILES :CCCCCCCCC(=O)OCC=C
cas number :7493-72-3
(EINECS) number :231-334-7
fema number :2036
coe number :390
jecfa number :6
fl. number :09.109
molar refractivity :59.14 ± 0.3 cm3
parachor :523.3 ± 4.0 cm3
index of refraction :1.438 ± 0.02
surface tension :29.1 ± 3.0 dyne/cm
density :0.880 ± 0.06 g/cm3
polarizability :23.44 ± 0.5 10-24cm3
XlogP : 4.50
XlogP3-AA : 4.30
molecular weight : 198.3018800 (IUPAC)
formula :C12 H22 O2
BioActivity Analysis :17389193
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :172.515
Suppliers :
Inoue :ALLYL NONANOATE
Nanjing :allyl nonanoate
orders in chinese.
Penta :allyl nonanoate
Pfaltz & Bauer :Allyl Pelargonate
organoleptics :
odor type :waxy
odor strength :medium
odor description:
at 100.00 %.  		sweet waxy fruity wine creamy vinous pineapple
odor description:
Sweet, waxy fruity, with a winey and creamy nuance
Mosciano, Gerard P&F 17, No. 1, 41, (1992)
taste description:
at 10.00 ppm.  		Waxy, slightly green with a creamy berry and fruity nuance
Mosciano, Gerard P&F 17, No. 1, 41, (1992)
properties :
appearence :colorless clear liquid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.87800 @ 20.00 °C.
refractive index :1.43000 @ 20.00 °C.
boiling point : 151.00 °C. @ 50.00 mm Hg
boiling point : 87.00 to 91.00 °C. @ 3.00 mm Hg
flash point : 192.00  °F.  TCC  ( 88.89 °C. )
logP (o/w) : 4.71
safety :
most important hazard(s) :Xi - Irritant
  R 36/37/38 - Irritating to eyes, respiratory system, and skin.
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 36/37/39 - 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 :
Category :flavor and fragrance agents
 
IFRA purity specification :< 0.1% free allyl alcohol
recommendation for allyl nonanoate fragrance usage levels up to :
  4.0000 % in the fragrance concentrate.
recommendation for allyl nonanoate flavor usage levels up to :
  10.0000 ppm in the flavor.
safety references :
EPI System :view
IFRA :IFRA - ( Found under : Allyl esters )
National Toxicology Program :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
SCCNFP :opinion
 
WGK Germany :3
 
 
 
 
prop-2-enyl nonanoate
(EINECS) number :231-334-7
chemidplus :007493723
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :7493-72-3
dtp/nci :20974
references :
 
prop-2-enyl nonanoate
fl. number :09.109
jecfa number :6
NIST Chemistry WebBook :3415491280
pubchem :197667
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 allyl nonylate
 allyl oenanthate
 allyl pelargonate
 nonanoic acid 2-propenyl ester
 nonanoic acid allyl ester
 prop-2-enyl nonanoate
2-propenyl nonanoate
2-propenyl pelargonate
Similar Products:    note
 amyl nonanoate
isoamyl nonanoate
 benzyl nonanoate
 butyl nonanoate
isobutyl nonanoate
 ethyl nonanoate
 geranyl nonanoate
 heptyl nonanoate
 hexyl nonanoate
 methyl nonanoate
 nonyl nonanoate
 octyl nonanoate
 phenethyl nonanoate
 propyl nonanoate
isopropyl nonanoate
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
 acetyl isovalerylFL
 allyl heptanoateFL/FR
 allyl nonanoateFL/FR
 allyl octanoateFL/FR
isoamyl acetoacetateFL/FR
isoamyl isobutyrateFL/FR
isoamyl laurateFL/FR
 amyl octanoateFL/FR
isoamyl tiglateFL/FR
2-amyl-5 or 6-keto-1,4-dioxaneFL
 anisyl propanal / methyl anthranilate schiff's baseFR
 benzaldehyde dimethyl acetalFL/FR
isobutyl acetoacetateFL/FR
isobutyl alcoholFL
 butyl angelateFL/FR
 butyl anthranilateFL/FR
isobutyl decanoateFL/FR
 butyl hexanoateFL/FR
 butyl lactateFL/FR
2-isobutyl thiazoleFL/FR
 butyl undecylenateFL/FR
isobutyraldehyde propylene glycol acetalFL
 chamomile oilFL/FR
 cognac oil greenFL/FR
 cognac oil whiteFL/FR
 cumin acetaldehydeFL/FR
 dairy lactoneFL/FR
gamma-decalactoneFL/FR
3-decanoneFL/FR
(Z)-4-decen-1-olFL/FR
 decyl butyrateFL/FR
 decyl propionateFL/FR
 diethyl 1-malateFL
 diethyl laevo-tartrateFL
 diethyl malateFL
 diethyl sebacateFL/FR
 dimethyl anthranilateFL/FR
 dimethyl benzyl carbinolFL/FR
2,4-dimethyl cyclohexyl methyl acetateFR
(E,E)-2,4-dodecadien-1-olFR
 ethyl (E)-2-decenoateFL/FR
 ethyl (E)-4-decenoateFL/FR
 ethyl 3,5,5-trimethyl hexanoateFR
 ethyl aconitateFL
 ethyl butyrateFL/FR
 ethyl chrysanthemateFR
 ethyl decanoateFL/FR
 ethyl formateFL/FR
 ethyl heptanoateFL/FR
 ethyl nonanoateFL/FR
 ethyl octanoateFL/FR
 ethyl palmitateFL/FR
 ethyl undecanoateFL/FR
 ethyl undecylenateFL/FR
2-ethyl-4-butanolFL/FR
 farnesyl acetoneFL/FR
1-furfuryl pyrroleFL/FR
 geranyl acetoacetateFL/FR
(E)-geranyl acetoneFL/FR
 geranyl hexanoateFL/FR
4-heptanoneFL/FR
 hexanal diethyl acetalFL/FR
2-hexanolFL/FR
3-hexanoneFL/FR
3-hexen-1-alFL/FR
(Z)-3-hexen-1-yl 2-methyl-2-pentenoateFR
(E)-2-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl propionateFL/FR
(E)-2-hexen-1-yl valerateFL
 hexyl 2-methyl butyrateFL/FR
 hexyl isobutyrateFL/FR
 hexyl phenyl acetateFL/FR
 ivy carbaldehydeFL/FR
2,4-ivy carbaldehydeFL/FR
3,5-ivy carbaldehydeFL/FR
3,6-ivy carbaldehydeFL/FR
 ivy dioxolaneFR
 leafy oximeFR
 methyl 2-undecynoateFL
 methyl 2,4-decadienoateFL/FR
 methyl butyl phenyl acetateFL/FR
 methyl citronellateFL/FR
 methyl decanoateFL/FR
 methyl hydrocinnamateFL/FR
 methyl nonanoateFL
 methyl undecanoateFL/FR
2-methyl-1-butanolFL/FR
4-methyl-2-penten-1-alFL
(E)-2-nonen-1-yl acetateFL/FR
 ocean propanal / methyl anthranilate schiff's baseFR
(E)-2-octen-1-yl acetateFL/FR
(E)-2-octen-1-yl butyrateFL/FR
 octyl 2-methyl butyrateFL/FR
 octyl butyrateFL/FR
 opoponax oilFL/FR
 opoponax resinoidFR
 orange oil bitterFL/FR
 orangeflower absoluteFL/FR
2-pentanoneFL/FR
 phenethyl acetalFR
 phenethyl senecioateFL/FR
 phenoxyacetaldehyde 50% in benzyl alcoholFR
 phenyl acetaldehyde diisobutyl acetalFL/FR
3-phenyl propionaldehydeFL/FR
 phytyl acetateFL/FR
 propionaldehydeFL
 propyl cinnamateFL/FR
 propyl heptanoateFL/FR
isopropyl phenyl acetateFL/FR
isopropyl quinolineFR
laevo-rose oxideFL/FR
 sorbyl butyrateFL/FR
 sorbyl propionateFL/FR
 terpinyl cinnamateFL/FR
 tetrahydrofurfuryl cinnamateFL/FR
(E)-2-tridecen-1-yl acetateFL/FR
2-undecanoneFL/FR
 vanillyl isobutyrateFL/FR
potential uses :
 apple
 brandy
 cognac
 pineapple
 wine
natural occurrence in :    note
 not found in nature  

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