allyl benzoate
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IUPAC name :prop-2-enyl benzoate
InChI :InChI=1/C10H10O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h2-7H,1,8H2
InChIKey :LYJHVEDILOKZCG-UHFFFAOYAI
SMILES :C=CCOC(=O)C1=CC=CC=C1
cas number :583-04-0
(EINECS) number :209-494-4
molar refractivity :47.01 ± 0.3 cm3
parachor :380.6 ± 4.0 cm3
index of refraction :1.516 ± 0.02
surface tension :35.9 ± 3.0 dyne/cm
density :1.043 ± 0.06 g/cm3
polarizability :18.63 ± 0.5 10-24cm3
XlogP : 2.60
XlogP3 : 2.40
molecular weight : 162.1852000 (IUPAC)
formula :C10 H10 O2
BioActivity Analysis :476738
pherobase floral:view
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Inoue :ALLYL BENZOATE
Nanjing :allyl benzoate
orders in chinese.
Penta :allyl benzoate
Pfaltz & Bauer :Allyl Benzoate
organoleptics :
odor type :fruity
odor strength :medium
odor description:
at 100.00 %.  		sweet floral cherry berry
taste description:
banana like
properties :
appearence :colorless clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
refractive index :1.51850 @ 20.00 °C.
boiling point : 82.00 to 85.00 °C. @ 5.00 mm Hg
flash point : 212.00  °F.  TCC  ( 100.00 °C. )
logP (o/w) : 3.02
safety :
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :fragrance agents
 
IFRA purity specification :< 0.1% free allyl alcohol
recommendation for allyl benzoate fragrance usage levels up to :
  2.0000 % in the fragrance concentrate.
recommendation for allyl benzoate flavor usage levels up to :
 not for flavor use.
safety references :
EPI System :view
IFRA :IFRA - ( Found under : Allyl esters )
Env. Mutagen Info. Center :Search
Canada Domestic Sub. List :Yes
 
 
 
 
prop-2-enyl benzoate
(EINECS) number :209-494-4
chemidplus :000583040
EPA Substance Registry Services :583-04-0
dtp/nci :406846
references :
 
prop-2-enyl benzoate
NIST Chemistry WebBook :1857791573
pubchem :154710
other :
VCF-Online: VCF Volatile Compounds in Food
FMA :listed
synonyms :
 benzoic acid 2-propenyl ester
 benzoic acid allyl ester
 prop-2-enyl benzoate
2-propenyl benzoate
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
 acetaldehyde methyl hexyl acetalFR
 acetoin butyrateFL
 acetyl methyl anthranilateFL/FR
 allyl tiglateFL
 ambrette seed absoluteFL/FR
delta6-isoambrettolideFL/FR
isoamyl 2-methyl butyrateFL/FR
para-anisyl propanalFR
 artemisyl ketoneFL/FR
 benzyl butyrateFL/FR
3-benzyl-4-heptanoneFL/FR
 berry hexanoateFR
 berry pentadienoateFL/FR
 bisaboleneFL/FR
 blackberry thiophenoneFL/FR
 bornyl valerateFL/FR
 buchu mercaptanFL/FR
 butyl anthranilateFL/FR
isobutyl anthranilateFL/FR
isobutyl butyrateFL/FR
 butyl hexanoateFL/FR
isobutyl isovalerateFL/FR
 butyl valerateFL/FR
isobutyl-3-(methyl thio) butyrateFL/FR
 campholene acetateFL/FR
alpha-campholenic alcoholFL/FR
 conifer acetateFL/FR
ortho-cresyl isobutyrateFL/FR
 cyclohexyl ethyl acetateFL/FR
beta-damascenoneFL/FR
alpha-damasconeFL/FR
 davana oilFL/FR
 dihydro-alpha-iononeFL/FR
isodihydrolavandulalFL/FR
 ethyl 2-hydroxy-3-methyl valerateFL/FR
 ethyl 2-methyl-2-pentenoateFR
 ethyl 3-oxohexanoateFL
2-ethyl butyric acidFL/FR
 ethyl cinnamateFL/FR
 ethyl levulinateFL/FR
 ethyl maltolFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
 ethyl ortho-anisateFL/FR
 ethyl valerateFL/FR
 filbert hexenoneFL/FR
 fir balsam absoluteFR
 fruity ketalFL/FR
 furfuryl isovalerateFL
(E)-furfurylidene phenyl acetaldehydeFL
 geranyl butyrateFL/FR
 geranyl isovalerateFL/FR
 heliotropyl acetateFL/FR
 heliotropyl acetoneFL/FR
 heliotropyl isobutyrateFL/FR
 herbal undecanoneFR
(Z)-3-hexen-1-yl 2-methyl butyrateFL/FR
 hexyl isobutyrateFL/FR
 hexyl isovalerateFL/FR
 hexyl octanoateFL/FR
 hyacinth etherFR
beta-iononeFL/FR
beta-ionone epoxideFL/FR
beta-ionyl acetateFL/FR
 juniper berry oleoresinFL/FR
 leather propionateFR
 maltyl isobutyrateFL/FR
 maltyl propionateFL/FR
 mango thiolFL/FR
dextro,laevo-menthyl acetateFL/FR
 methyl (E)-cinnamateFL/FR
 methyl 2-methyl valerateFL/FR
 methyl beta-ionolFR
 methyl cinnamateFL/FR
 methyl furfuryl disulfideFL
 methyl heptanoateFL/FR
 methyl propionateFL/FR
2-methyl-2-pentenoic acidFL/FR
2-methyl-3-pentenoic acidFL/FR
 nerolin fragarolFL/FR
 neryl isobutyrateFL/FR
(E)-5-nonen-2-oneFL
3-nonen-2-oneFL/FR
(E)-2-octen-1-yl butyrateFL/FR
3-octen-2-oneFL/FR
(E)-2-octen-4-olFL
 octyl propionateFL/FR
 orris root resinoidFL/FR
 osmanthus absoluteFL/FR
 phenethyl butyrateFL/FR
2-phenethyl isothiocyanateFL
 phenethyl pivalateFL/FR
3-phenyl propyl isovalerateFL/FR
 phenyl propyl valerateFL/FR
 pine needle oil dwarfFL/FR
isopropenyl acetateFL/FR
 propyl acetateFL/FR
 propyl formateFL/FR
 propyl heptanoateFL/FR
isopropyl hexanoateFL/FR
 propyl isobutyrateFL/FR
 prune glycidateFR
 raspberry ketoneFL/FR
 raspberry ketone acetateFL/FR
 raspberry ketone methyl etherFL/FR
 rose carboxylateFR
 strawberry furanoneFL/FR
 strawberry glycidate 1FL/FR
 strawberry glycidate 2FL/FR
 styralyl butyrateFL/FR
 tetrahydroionyl acetateFR
 thiogeraniolFL/FR
4-(para-tolyl)-2-butanoneFL/FR
 tropical trithianeFL/FR
 valeraldehydeFL/FR
 vanilla carboxylateFL/FR
potential uses :
 banana
 berry
 cherry
natural occurrence in :    note
 narcissus tazetta var. chinensis S

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