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
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Inoue :ALLYL BENZOATE
Nanjing :allyl benzoate
Penta :allyl benzoate
Pfaltz & Bauer :Allyl Benzoate

organoleptics :
odor type :fruity
odor strength :medium
odor description :
at 100.00 %.  
sweet floral cherry berry

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 :
 
IFRA purity specification :< 0.1% free allyl alcohol
recommendation for allyl benzoate usage levels up to :
  2.0000 % in the fragrance concentrate.
recommendation for allyl benzoate 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 :
synonyms :
 benzoic acid 2-propenyl ester
 benzoic acid allyl ester
 prop-2-enyl benzoate
2-propenyl benzoate

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 acetaldehyde methyl hexyl acetal
 acetoin butyrate
 acetyl methyl anthranilate
 allyl tiglate
 ambrette seed absolute
delta6-isoambrettolide
isoamyl 2-methyl butyrate
para-anisyl propanal
 artemisyl ketone
 benzyl butyrate
3-benzyl-4-heptanone
 berry hexanoate
 berry pentadienoate
 bisabolene
 blackberry thiophenone
 bornyl valerate
 buchu mercaptan
 butyl anthranilate
isobutyl anthranilate
isobutyl butyrate
 butyl hexanoate
isobutyl isovalerate
 butyl valerate
isobutyl-3-(methyl thio) butyrate
 campholene acetate
alpha-campholenic alcohol
 conifer acetate
ortho-cresyl isobutyrate
 cyclohexyl ethyl acetate
beta-damascenone
alpha-damascone
 davana oil
 dihydro-alpha-ionone
isodihydrolavandulal
 ethyl 2-hydroxy-3-methyl valerate
 ethyl 2-methyl-2-pentenoate
 ethyl 3-oxohexanoate
2-ethyl butyric acid
 ethyl cinnamate
 ethyl levulinate
 ethyl maltol
 ethyl methyl-para-tolyl glycidate
 ethyl ortho-anisate
 ethyl valerate
 filbert hexenone
 fir balsam absolute
 fruity ketal
 furfuryl isovalerate
(E)-furfurylidene phenyl acetaldehyde
 geranyl butyrate
 geranyl isovalerate
 heliotropyl acetate
 heliotropyl acetone
 heliotropyl isobutyrate
 herbal undecanone
(Z)-3-hexen-1-yl 2-methyl butyrate
 hexyl isobutyrate
 hexyl isovalerate
 hexyl octanoate
 hyacinth ether
beta-ionone
beta-ionone epoxide
beta-ionyl acetate
 juniper berry oleoresin
 leather propionate
 maltyl isobutyrate
 maltyl propionate
 mango thiol
dextro,laevo-menthyl acetate
 methyl (E)-cinnamate
 methyl 2-methyl valerate
 methyl beta-ionol
 methyl cinnamate
 methyl furfuryl disulfide
 methyl heptanoate
 methyl propionate
2-methyl-2-pentenoic acid
2-methyl-3-pentenoic acid
 nerolin fragarol
 neryl isobutyrate
(E)-5-nonen-2-one
3-nonen-2-one
(E)-2-octen-1-yl butyrate
3-octen-2-one
(E)-2-octen-4-ol
 octyl propionate
 orris root resinoid
 osmanthus absolute
 phenethyl butyrate
2-phenethyl isothiocyanate
 phenethyl pivalate
3-phenyl propyl isovalerate
 phenyl propyl valerate
 pine needle oil dwarf
isopropenyl acetate
 propyl acetate
 propyl formate
 propyl heptanoate
isopropyl hexanoate
 propyl isobutyrate
 prune glycidate
 raspberry ketone
 raspberry ketone acetate
 raspberry ketone methyl ether
 rose carboxylate
 strawberry furanone
 strawberry glycidate 1
 strawberry glycidate 2
 styralyl butyrate
 tetrahydroionyl acetate
 thiogeraniol
4-(para-tolyl)-2-butanone
 tropical trithiane
 valeraldehyde
 vanilla carboxylate

(odor and/or flavor) used in :
 banana
 berry
 cherry

natural occurrence in :
not found in nature



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