allyl phenoxyacetate
Suppliers  organoleptics  properties  safety  references  cosmetics    FEMA Index    Home Page
 
Right Click Jmol Molecule For More Options. (Safari 1.2 (v125) Compatible). Jmol is a free download found Here.
 
IUPAC name :prop-2-enyl 2-(phenoxy)acetate
InChI :InChI=1/C11H12O3/c1-2-8-13-11(12)9-14-10-6-4-3-5-7-10/h2-7H,1,8-9H2
InChIKey :VUFZVGQUAVDKMC-UHFFFAOYAL
SMILES :C=CCOC(=O)COC1=CC=CC=C1
cas number :7493-74-5
(EINECS) number :231-335-2
beilstein number :2102680
fema number :2038
coe number :228
jecfa number :18
fl. number :09.701
molar refractivity :52.96 ± 0.3 cm3
parachor :436.8 ± 4.0 cm3
index of refraction :1.506 ± 0.02
surface tension :36.2 ± 3.0 dyne/cm
density :1.079 ± 0.06 g/cm3
polarizability :20.99 ± 0.5 10-24cm3
XlogP : 2.30
XlogP3 : 2.10
molecular weight : 192.2111800 (IUPAC)
formula :C11 H12 O3
NMR Predictor :Predict
 
 
export tariff code :2915.39.9050
fda reg :172.515
Suppliers :
Apple :Allyl phenoxyacetate
Berje :Allyl Phenoxy Acetate
(Acetate PA™Type )
Inoue :ALLYL PHENOXYACETATE
Moellhausen :phenoxy allyl acetate
98% min. artifical kosher
Flavor:  sweet, pineapple, honey.
Penta :allyl phenoxyacetate
SAFC Global® :Allyl phenoxyacetate
≥99%, Kosher
Odor:  honey; pineapple; sweet
Symrise :Allyl phenoxyacetate
Odor:  green, sweet, herbal-fruity, reminiscent of camomile with nuances of honey, galbanum and pineapple
Flavor:  sweet, pineapple, honey.
Vigon :Acetate PA Allyl Phenoxy Acetate
Odor:  Green, sweet, herbal-fruity, reminiscent of camomile with nuances of honey, galbanum and pineapple
organoleptics :
odor type :fruity
odor strength :medium
odor description:
at 100.00 %.  		sweet fresh honey pineapple chamomile cocoa
Luebke, William tgsc, (1991)
odor sample from :Harrmann & Reimer Corporation
substantivity :304  Hour(s)
properties :
appearence :pale yellow clear liquid
assay : 99.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.10000 to 1.10500 @ 25.00 °C.
pounds per gallon - calc. : 9.153 to 9.195
refractive index :1.51400 to 1.51700 @ 20.00 °C.
boiling point : 100.00 to 102.00 °C. @ 1.00 mm Hg
boiling point : 265.00 to 266.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
flash point :> 212.00  °F.  TCC  ( > 100.00 °C. )
logP (o/w) : 2.27
safety :
most important hazard(s) :Xn - Harmful.
  R 20/21/22 - Harmful by inhalation, in contact with skin and if swallowed.
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
S 23 - Do not breath vapour.
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 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
Oral Toxicity(LD50) : 
  Oral-Rat    475.00  ul/kg
Food and Cosmetics Toxicology. Vol. 13, Pg. 703, 1975.

Dermal Toxicity(LD50) : 
  Skin-Rabbit  820.00  ul/kg
Food and Cosmetics Toxicology. Vol. 13, Pg. 703, 1975.

Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
 
IFRA purity specification :< 0.1% free allyl alcohol
recommendation for allyl phenoxyacetate fragrance usage levels up to :
  5.0000 % in the fragrance concentrate.
recommendation for allyl phenoxyacetate flavor usage levels up to :
  40.0000 ppm in the flavor.
safety references :
EPI System :view
IFRA :IFRA - ( Found under : Allyl esters )
Toxicology Citations :Search
Env. Mutagen Info. Center :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
SCCNFP :opinion
WISER :UN 2810
 
WGK Germany :1
 
 
 
 
prop-2-enyl 2-(phenoxy)acetate
(EINECS) number :231-335-2
RTECS :AJ2240000 for cas# 7493-74-5
chemidplus :007493745
EPA Substance Registry Services :7493-74-5
dtp/nci :408892
references :
 
prop-2-enyl 2-(phenoxy)acetate
fl. number :09.701
jecfa number :18
NIST Chemistry WebBook :1702788968
pubchem :166640
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
RIFM :listed
FMA :listed
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 acetate PA
 phenoxyacetic acid 2-propenyl ester
 phenoxyacetic acid allyl ester
 prop-2-enyl 2-(phenoxy)acetate
2-propenyl phenoxyacetate
soluble in :
 alcohol
 water, 585 mg/L @ 20C
insoluble in :
 water
stability :
 detergent
 hair spray
 soap
potential blenders :    note
1-acetyl cyclohexyl acetateFL
 allyl 10-undecenoateFL/FR
 allyl 3,5,5-trimethyl hexanoateFL/FR
 allyl amyl glycolateFR
 allyl butyrateFL/FR
 allyl cinnamateFL/FR
 allyl cyclohexyl acetateFL/FR
 allyl cyclohexyl butyrateFL/FR
 allyl cyclohexyl propionateFL/FR
 allyl heptanoateFL/FR
 allyl hexanoateFL/FR
 allyl isovalerateFL/FR
 allyl nonanoateFL/FR
 allyl octanoateFL/FR
 allyl phenyl acetateFL/FR
 allyl salicylateFR
 allyl sorbateFL/FR
isoamyl 3-methyl thiopropionateFL
isoamyl angelateFL/FR
isoamyl benzoateFL/FR
 amyl butyrateFL/FR
isoamyl butyrateFL/FR
isoamyl formateFL/FR
 amyl hexanoateFL/FR
isoamyl hexanoateFL/FR
isoamyl isobutyrateFL/FR
isoamyl isovalerateFL/FR
isoamyl octanoateFL/FR
isoamyl phenyl acetateFL/FR
 amyl propionateFL/FR
isoamyl propionateFL/FR
para-anisyl phenyl acetateFL/FR
 artemisyl ketoneFL/FR
 beeswax absoluteFL/FR
 benzyl ethyl etherFL/FR
 benzyl isovalerateFL/FR
 benzyl octanoateFL/FR
 boronia absoluteFL/FR
 bran absoluteFR
isobutyl 2-butenoateFL/FR
 butyl butyrateFL/FR
isobutyl butyrateFL/FR
isobutyl furyl propionateFL/FR
 butyl hexanoateFL/FR
isobutyl hexanoateFL/FR
 butyl isobutyrateFL/FR
isobutyl isobutyrateFL/FR
 butyl isovalerateFL/FR
 butyl phenyl acetateFL/FR
isobutyl propionateFL/FR
S-sec-butyl thioisovalerateFL
 butyl valerateFL/FR
2-isobutyl-3-methoxypyrazineFL/FR
2-sec-butyl-3-methoxypyrazineFL/FR
 cardamom absoluteFL/FR
 carnation absoluteFR
 chamomile flower oil germanyFL/FR
 chamomile isobutyrateFR
 chamomile octenoneFR
 chamomile propionateFR
 chamomile valerateFR
 cherry pentenoateFL/FR
 cinnamyl isobutyrateFL/FR
 cistus cyclohexanoneFL/FR
 cistus oilFL/FR
 citronellyl acetateFL/FR
 citronellyl isovalerateFL/FR
 citronellyl oxyacetaldehydeFL/FR
 citronellyl phenyl acetateFL/FR
 citronellyl valerateFL/FR
 cocoa butenalFL/FR
 cocoa pentenalFL/FR
 cognac heptanoneFL/FR
 cotinus coggygria oil 
para-cresyl phenyl acetateFL/FR
beta-cyclocitralFL/FR
 cyclohexyl acetic acidFL
 cyclohexyl butyrateFL/FR
 cyclohexyl hexanoateFL/FR
2-cyclopentyl cyclopentanoneFL/FR
(E)-beta-damasconeFL/FR
(Z)-beta-damasconeFL/FR
beta-damasconeFL/FR
alpha-decalactoneFR
 decyl formateFR
 diethyl malonateFL/FR
 dimethyl octanyl acetateFL/FR
 dimethyl succinateFL/FR
2,4-dimethyl-2-pentenoic acidFL
(E,E)-2,4-dodecadien-1-olFR
 dodecanolFL/FR
 elder flowers absoluteFR
 ethyl (E)-2-octenoateFL
 ethyl (E)-4-decenoateFL/FR
 ethyl (Z)-4-octenoateFL/FR
 ethyl 2-cyclohexyl propionateFR
 ethyl 2-octenoateFL/FR
 ethyl 3-(2-furyl) propanoateFL
 ethyl 3-acetoxyhexanoateFL/FR
 ethyl 3-hexenoateFL/FR
 ethyl 3-hydroxyhexanoateFL/FR
 ethyl 3-methyl valerateFL/FR
 ethyl 3-octenoateFL
 ethyl 3,5,5-trimethyl hexanoateFR
 ethyl acetoacetateFL/FR
 ethyl butyrateFL/FR
 ethyl cyclohexane propionateFL/FR
 ethyl heptanoateFL/FR
 ethyl hexanoateFL/FR
 ethyl hydrocinnamateFL/FR
 ethyl isovalerateFL/FR
 ethyl levulinateFL/FR
 ethyl methyl mercaptopropionateFL/FR
 ethyl phenyl acetateFL/FR
 ethyl propionateFL/FR
 ethyl valerateFL/FR
 eugenyl phenyl acetateFL/FR
isoeugenyl phenyl acetateFL/FR
 fig leaf absoluteFL
 furfuryl propionateFL
 furfuryl valerateFL
 galbanum decatrieneFL/FR
 galbanum ketoneFR
 galbanum oxathianeFL/FR
 galbanum oxyacetateFR
 geranyl anthranilateFR
 geranyl isovalerateFL/FR
 geranyl phenyl acetateFL/FR
 green pea pyrazineFL
 guaiacyl phenyl acetateFL/FR
 heptanal cyclic ethylene acetalFR
2-heptanolFL/FR
4-heptanoneFL/FR
 heptyl butyrateFL/FR
2-heptyl cyclopentanoneFR
 herbal acetalFR
2-hexen-1-alFL
(E)-2-hexen-1-al diethyl acetalFL
2-hexen-1-al diethyl acetalFL
2-hexen-1-olFL/FR
3-hexen-1-yl 2-methyl butyrateFL/FR
(E)-3-hexen-1-yl acetateFL/FR
(E)-2-hexen-1-yl formateFL/FR
(E)-2-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
(E)-2-hexen-1-yl phenyl acetateFL/FR
(E)-2-hexen-1-yl valerateFL
(E)-3-hexenoic acidFL
 hexyl (E)-2-hexenoateFL
 hexyl 2-butenoateFL/FR
 hexyl acetateFL/FR
 hexyl octanoateFL/FR
 honeysuckle absoluteFR
 hyacinth acetalFL/FR
 immortelle absoluteFL/FR
 kewda absolute 
 kewda oil 
 leafy oximeFR
 linalyl hexanoateFL/FR
 linalyl phenyl acetateFL/FR
 lovage root absoluteFL
 lovage root oilFL/FR
 maltyl propionateFL/FR
 melon valerateFL/FR
2-methoxy-3-propyl pyrazineFL
 methyl (E)-2-hexenoateFL
 methyl (E)-3-nonenoateFL/FR
 methyl (E)-3-nonenoateFL
 methyl (Z)-4-octenoateFL/FR
 methyl 2-hexenoateFL/FR
 methyl 2-undecynoateFL
 methyl 4-(methyl thio) butyrateFL
 methyl 4-methyl valerateFL
2'-methyl acetophenoneFL/FR
2-methyl butyl 2-methyl butyrateFL/FR
 methyl butyl phenyl acetateFL/FR
 methyl butyrateFL
 methyl heptanoateFL/FR
 methyl hexanoateFL/FR
 methyl hydrocinnamateFL/FR
 methyl isobutyrateFL/FR
 methyl isovalerateFL/FR
 methyl octenoateFL/FR
 methyl phenyl acetateFL/FR
 methyl R-3-acetoxyhexanoate 
2-methyl valeraldehydeFL
 methyl valerateFL/FR
(E)-2-methyl-2-octen-1-alFL
2-methyl-2-octen-1-alFL
3-methyl-3-pentanolFL
2-methyl-3,(5 or 6)-ethoxypyrazineFL
4-methyl-4-phenyl pentanoneFR
 nerolidyl isobutyrateFR
(Z,Z)-3,6-nonadien-1-olFL/FR
(Z)-6-nonen-1-olFL/FR
(E,E)-3,5-octadien-2-oneFL
 octen-1-yl cyclopentanoneFL/FR
(Z)-3-octen-1-yl propionateFL/FR
2-octen-4-oneFL/FR
 octyl 2-methyl butyrateFL/FR
 octyl butyrateFL/FR
 octyl isovalerateFL/FR
 orangeflower absoluteFL/FR
 osmanthus absoluteFL/FR
1-penten-3-olFL/FR
2-pentyl furanFL/FR
 phenethyl acetateFL/FR
 phenethyl anthranilateFL/FR
 phenethyl benzoateFL/FR
 phenethyl furoateFL/FR
 phenethyl hexanoateFL/FR
 phenethyl phenyl acetateFL/FR
 phenethyl propionateFL/FR
 phenoxyethyl isobutyrateFL/FR
 phenyl acetaldehydeFL/FR
 phenyl acetic acidFL/FR
 phenyl glycol diacetateFR
2-phenyl propyl alcoholFL/FR
3-phenyl propyl formateFL/FR
2-phenyl propyl isobutyrateFL/FR
 phenyl pyruvic acidFL/FR
(E)-2-phenyl-1(2)-propene-1-yl acetateFR
 pineapple heptadienone 10%FR
 pineapple hydroxyhexanoateFL/FR
 pineapple pentenoateFL/FR
 prenolFL/FR
 prenyl ethyl etherFL/FR
 prenyl hexanoateFL/FR
isopropyl 2-methyl butyrateFL/FR
isopropyl 3-methyl thiocrotonateFL/FR
isopropyl anthranilateFL/FR
 propyl butyrateFL/FR
isopropyl butyrateFL/FR
 propyl heptanoateFL/FR
 propyl hexanoateFL/FR
isopropyl hexanoateFL/FR
isopropyl isobutyrateFL/FR
isopropyl isovalerateFL/FR
 propyl phenyl acetateFL/FR
isopropyl phenyl acetateFL/FR
 propyl propionateFL/FR
isopropyl propionateFL/FR
isopropyl thioisovalerateFL
 propylene acetalFL/FR
 rhodinyl phenyl acetateFL/FR
 rhubarb undecaneFR
 rose absolute moroccoFL/FR
 rose carboxylateFR
 santalyl phenyl acetateFL/FR
 sorbyl isobutyrateFL/FR
 sorbyl propionateFL/FR
 strawberry glycidate 1FL/FR
 strawberry glycidate 2FL/FR
 tagete oil indiaFL/FR
 tetrahydrofurfuryl butyrateFL/FR
1,2,3,4-tetrahydroquinolineFR
 timber dioxolaneFR
 tropical 3-thiobutyrateFL/FR
 tropical indeneFR
 tropical iononeFL/FR
 tropical oxathianeFL/FR
 tropical thiazoleFL/FR
 tuberose absoluteFL/FR
 tuberose absolute concreteFL/FR
2-undecanoneFL/FR
 vanilla carboxylateFL/FR
 violet dienyneFR
 wallflower absoluteFR
 waxy acetateFR
potential uses :
 chamomile
 coconut tropical coconut
 floral
 fruit
 galbanum
 green
 herbal
 honey miel
 honeysuckle chevrefeuille
 jasmin
 pineapple
 rose
 strawberry
 violet
natural occurrence in :    note
 not found in nature  

information only - not sold by The Good Scents Company.


Please share your Information / Comments.

Your email Address:


Top of Page          The Good Scents Company Home
Copyright © 1980-2010 The Good Scents Company Disclaimer Privacy Policy
Html Last modified 03/10/2010