allyl benzoate
2-propenyl benzoate
 
Notes:
Used in food flavouring
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      Product(s):
      B2041 Allyl Benzoate >98.0%(GC)
       
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CAS Number: 583-04-0Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 209-494-4
FDA UNII: AQY5543KFE
Nikkaji Web: J95.036J
MDL: MFCD00026104
XlogP3: 2.40 (est)
Molecular Weight: 162.18810000
Formula: C10 H10 O2
BioActivity Summary: listing
NMR Predictor: Predict (works with chrome or firefox)
Category: fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
Google Books: Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist: Search
Google Patents: Search
US Patents: Search
EU Patents: Search
Pubchem Patents: Search
PubMed: Search
NCBI: Search
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 98.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 1.05200 to 1.05600 @  20.00 °C.
Pounds per Gallon - (est).: 8.764 to  8.797
Refractive Index: 1.51600 to 1.51900 @  20.00 °C.
Boiling Point: 82.00 to  85.00 °C. @ 5.00 mm Hg
Vapor Pressure: 0.033000 mmHg @ 25.00 °C. (est)
Flash Point: 212.00 °F. TCC ( 100.00 °C. )
logP (o/w): 3.024 (est)
Soluble in:
 alcohol
 water, 348.1 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: fruity
 
Odor Strength: medium
 
 sweet  floral  cherry  berry  
Odor Description:
at 100.00 %. 
sweet floral cherry berry
 
 
Flavor Type: fruity
 
 banana  
Taste Description:
banana like
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Inoue Perfumery
ALLYL BENZOATE
Santa Cruz Biotechnology
For experimental / research use only.
Allyl Benzoate
Sigma-Aldrich: Aldrich
For experimental / research use only.
Allyl Benzoate
TCI AMERICA
For experimental / research use only.
Allyl Benzoate >98.0%(GC)
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Safety Information:
Preferred SDS: View
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
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 flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
Env. Mutagen Info. Center: Search
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 11406
National Institute of Allergy and Infectious Diseases: Data
 prop-2-enyl benzoate
Chemidplus: 0000583040
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References:
 prop-2-enyl benzoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 583-04-0
Pubchem (cid): 11406
Pubchem (sid): 134978029
Pherobase: View
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Other Information:
(IUPAC): Atomic Weights of the Elements 2009
(IUPAC): Atomic Weights of the Elements 2009 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
HMDB (The Human Metabolome Database): HMDB40592
FooDB: FDB020375
Export Tariff Code: 2916.31.5000
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
No odor group found for these
(E)-5-nonen-2-oneFL/FR
acidic
2-ethyl butyric acidFL/FR
2-methyl-2-pentenoic acidFL/FR
aldehydic
3-methyl-4-hexyl oxybutyraldehydeFR
alliaceous
 methyl furfuryl disulfideFL/FR
amber
 ambrette seed absoluteFL/FR
anisic
para-anisyl propanalFR
balsamic
 cinnamyl formateFL/FR
 conifer acetateFR
 ethyl cinnamateFL/FR
 fir balsam absoluteFR
 methyl (E)-cinnamateFL/FR
 methyl cinnamateFL/FR
isopropyl cinnamateFL/FR
berry
 raspberry ketoneFL/FR
 raspberry ketone acetateFL/FR
 raspberry ketone methyl etherFL/FR
camphoreous
alpha-campholenic alcoholFL/FR
caramellic
 ethyl maltolFL/FR
 maltyl isobutyrateFL/FR
 maltyl propionateFL/FR
 strawberry furanoneFL/FR
citrus
(R)-citronellyl nitrileFR
 citronitrile (Symrise)FR
2-heptanolFL/FR
earthy
3-octen-2-oneFL/FR
ethereal
 cyclohexyl formateFL/FR
 propyl formateFL/FR
fatty
 butyl undecylenateFL/FR
fermented
isoamyl alcoholFL/FR
 methyl decanoateFL/FR
 valeraldehydeFL/FR
floral
 acetal 318FR
isoamyl angelateFL/FR
 benzyl acetateFL/FR
 benzyl acetoacetateFL/FR
 benzyl isobutyrateFL/FR
 blue lagoon fragranceFR
(S)-citronellyl acetateFL/FR
 citronellyl butyrateFL/FR
 citronellyl hexanoateFL/FR
(E)-citronellyl tiglateFL/FR
3-cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl esterFR
 cyclohexyl ethyl acetateFL/FR
 cymbopogon validus leaf oilFR
beta-damascenoneFL/FR
alpha-damasconeFL/FR
 dihydro-alpha-iononeFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
3,6-dimethyl-3-octyl acetateFR
 ethyl anthranilateFL/FR
 ethyl ethyl anthranilateFL/FR
 ethyl ortho-anisateFL/FR
 eucalyptus macarthurii oilFR
 geraniolFL/FR
 geranyl isobutyrateFL/FR
 heliotropyl acetateFL/FR
 heliotropyl acetoneFL/FR
 hibiscus fragranceFR
 hyacinth etherFR
beta-iononeFL/FR
 ionone mixed isomersFL/FR
beta-ionyl acetateFL/FR
 jasmin cyclopentanoneFR
isojasmoneFL/FR
 linalyl butyrateFL/FR
 magnolia flower oil CO2 extractFL/FR
 magnolia specialtyFR
 menthadienyl formateFR
ortho-methoxybenzyl ethyl etherFR
 methoxymelonalFL/FR
1-(2-methyl allyl oxy)-3-methoxy-3-methyl-1-butaneFR
para-methyl benzyl acetateFL/FR
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 methyl ionyl acetateFL/FR
pink nelumbo nucifera flower absoluteFR
white nelumbo nucifera flower absoluteFR
white nelumbo nucifera flower concreteFR
 nerolin fragarolFL/FR
3-nonanon-1-yl acetateFL/FR
 orris rhizome concrete butter (iris pallida)FL/FR
 orris rhizome resinoid (iris pallida)FL/FR
 osmanthus absolute replacerFR
 osmanthus concreteFL/FR
 petitgrain mandarin oilFL/FR
 phenethyl butyrateFL/FR
 phenethyl isobutyrateFL/FR
 phenethyl isovalerateFL/FR
 phenethyl pivalateFL/FR
1-phenyl propyl butyrateFL/FR
2-phenyl propyl isobutyrateFL/FR
4-phenyl-3-buten-2-olFL/FR
isopropyl benzoateFL/FR
 rhodinyl butyrateFL/FR
 rose carboxylateFR
 rose undeceneFR
 souroubea specialtyFR
 star fruit oil cubaFL/FR
 styralyl propionateFL/FR
 terpinyl valerateFL/FR
 tetrahydroionyl acetateFR
fruity
 acetyl methyl anthranilateFL/FR
isoamyl 2-methyl butyrateFL/FR
isoamyl acetateFL/FR
 amyl butyrateFL/FR
 amyl heptanoateFL/FR
isoamyl propionateFL/FR
 apricot essenceFL/FR
 artemisia pallens herb oilFL/FR
 benzaldehyde / methyl anthranilate schiff's baseFR
 benzyl butyrateFL/FR
 benzyl propionateFL/FR
 benzyl valerateFL/FR
3-benzyl-4-heptanoneFL/FR
 berry hexanoateFR
 berry pentadienoateFL/FR
 bisaboleneFL/FR
 butyl 2-naphthyl etherFL/FR
isobutyl acetateFL/FR
isobutyl anthranilateFL/FR
 butyl anthranilateFL/FR
isobutyl butyrateFL/FR
isobutyl furyl propionateFL/FR
 butyl hexanoateFL/FR
isobutyl isovalerateFL/FR
 butyl propionateFL/FR
isobutyl propionateFL/FR
 butyl valerateFL/FR
isobutyl-3-(methyl thio) butyrateFL/FR
 cherry pentenoateFL/FR
 citronellyl isobutyrateFL/FR
 cyclohexyl propionateFL/FR
(Z)-beta-damasconeFL/FR
beta-damasconeFL/FR
(E)-beta-damasconeFL/FR
(R)-gamma-dodecalactoneFL/FR
 eriocephalus punctulatus flower oilFR
 ethyl 2-hydroxy-3-methyl valerateFL/FR
 ethyl benzoyl acetateFL/FR
2-ethyl butyl acetateFL/FR
 ethyl levulinateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
 ethyl valerateFL/FR
 filbert hexenoneFL/FR
 fruity ketalFL/FR
 geranyl butyrateFL/FR
 geranyl isovalerateFL/FR
 ginseneFR
 heliotropyl isobutyrateFL/FR
 hexyl isovalerateFL/FR
beta-ionone epoxideFL/FR
 leather propionateFR
 linalool oxide acetatesFL/FR
3-mercaptohexyl acetateFL/FR
 methyl 2-methyl valerateFL/FR
 methyl 4-methyl valerateFL/FR
 methyl beta-ionolFR
 methyl bicycloheptenyl methyloxirane carboxylateFR
2-methyl butyl acetateFL/FR
 methyl heptanoateFL/FR
 methyl isobutyrateFL/FR
 methyl propionateFL/FR
(E)-7-methyl-3-octen-2-oneFL/FR
(±)-3-methyl-gamma-decalactoneFL/FR
 myrasconeFR
 neryl isobutyrateFL/FR
2-nonanone propylene glycol acetalFL/FR
3-nonen-2-oneFL/FR
alpha-ocimeneFL/FR
 octyl propionateFL/FR
 osmanthus flower absoluteFL/FR
 peach nitrileFR
2-pentanoneFL/FR
3-phenyl propyl isovalerateFL/FR
 phenyl propyl valerateFL/FR
 plum damascone (high alpha)FR
 prenyl acetateFL/FR
isopropenyl acetateFL/FR
 propyl acetateFL/FR
 propyl heptanoateFL/FR
isopropyl hexanoateFL/FR
 propyl isobutyrateFL/FR
 prune glycidateFR
 sambucus canadensis fruit absoluteFL/FR
 strawberry glycidate 1 (aldehyde C-16 (so-called))FL/FR
 strawberry glycidate 2FL/FR
(R)-styralyl acetateFL/FR
 styralyl butyrateFL/FR
4-(para-tolyl)-2-butanoneFL/FR
 tropical trithianeFL/FR
 vanilla carboxylateFL/FR
cis-woody acetateFR
green
 acetaldehyde methyl hexyl acetalFR
isoamyl 3-(2-furan) propionateFL/FR
 benzaldehyde dimethyl acetalFL/FR
(Z)-3-hexen-1-yl 2-methyl butyrateFL/FR
 hexyl isobutyrateFL/FR
 hexyl octanoateFL/FR
1-[(3aS,7aR)-3a,4,7,7a-tetrahydro-1H-inden-6-yl]ethanoneFR
 thiogeraniolFL/FR
herbal
 artemisyl ketoneFL/FR
(S)-campholene acetateFL/FR
 chamomile isobutyrateFR
 chamomile propionateFR
isodihydrolavandulalFL/FR
 geranium cyclohexaneFR
 herbal undecanoneFR
 methyl cyclogeranate (Firmenich)FR
 tagete oil madagascarFL/FR
jammy
 ethyl 2-methyl-2-pentenoateFR
medicinal
ortho-cresyl acetateFL/FR
mentholic
 menthyl acetate racemicFL/FR
nutty
2-methyl-3-pentenoic acidFL/FR
phenolic
ortho-cresyl isobutyrateFL/FR
powdery
alpha-methyl iononeFL/FR
(E)-alpha-methyl ionone (74-80%)FL/FR
soapy
 ambrettolideFL/FR
spicy
 spicy acetoacetateFL/FR
sulfurous
 blackberry thiophenoneFL/FR
 buchu mercaptanFL/FR
 mango thiolFL/FR
2-phenethyl isothiocyanateFL/FR
terpenic
 pine needle oil dwarfFL/FR
tropical
 triflaige A (ZEON)FR
waxy
 dihydrocitronellyl acetateFL/FR
(E)-methyl geranateFL/FR
(E)-2-octen-1-yl butyrateFL/FR
 phytyl acetateFL/FR
woody
 bornyl valerateFL/FR
2-decalinyl acetateFR
 juniper berry oleoresinFL/FR
 melozol acetateFR
 rhubarb oxiraneFR
 
For Flavor
 
No flavor group found for these
isoamyl angelateFL/FR
 artemisyl ketoneFL/FR
 benzyl valerateFL/FR
 blackberry thiophenoneFL/FR
 butyl 2-naphthyl etherFL/FR
isobutyl-3-(methyl thio) butyrateFL/FR
alpha-campholenic alcoholFL/FR
ortho-cresyl acetateFL/FR
ortho-cresyl isobutyrateFL/FR
 dihydrocitronellyl acetateFL/FR
(R)-gamma-dodecalactoneFL/FR
 ethyl 2-hydroxy-3-methyl valerateFL/FR
 ethyl ethyl anthranilateFL/FR
 ethyl ortho-anisateFL/FR
beta-ionone epoxideFL/FR
 ionone mixed isomersFL/FR
 linalool oxide acetatesFL/FR
 magnolia flower oil CO2 extractFL/FR
 menthyl acetate racemicFL/FR
 methyl (E)-cinnamateFL/FR
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
(E)-methyl geranateFL/FR
2-methyl-3-pentenoic acidFL/FR
2-nonanone propylene glycol acetalFL/FR
(E)-5-nonen-2-oneFL/FR
alpha-ocimeneFL/FR
(E)-2-octen-1-yl butyrateFL/FR
(E)-2-octen-4-olFL
2-phenethyl isothiocyanateFL/FR
1-phenyl propyl butyrateFL/FR
2-phenyl propyl isobutyrateFL/FR
3-phenyl propyl isovalerateFL/FR
 phenyl propyl valerateFL/FR
 phytyl acetateFL/FR
isopropyl benzoateFL/FR
isopropyl hexanoateFL/FR
(R)-styralyl acetateFL/FR
isoamyl 3-(2-furan) propionateFL/FR
 benzyl acetoacetateFL/FR
isobutyl furyl propionateFL/FR
beta-damasconeFL/FR
(E)-spicy acroleinFL
acidic
2-ethyl butyric acidFL/FR
balsamic
 ethyl cinnamateFL/FR
 phenethyl pivalateFL/FR
isopropyl cinnamateFL/FR
berry
 dihydro-alpha-iononeFL/FR
 heliotropyl acetoneFL/FR
 raspberry ketoneFL/FR
 raspberry ketone acetateFL/FR
 raspberry ketone methyl etherFL/FR
caramellic
 ethyl maltolFL/FR
 maltyl propionateFL/FR
 strawberry furanoneFL/FR
citrus
 bisaboleneFL/FR
 petitgrain mandarin oilFL/FR
 styralyl propionateFL/FR
coffee
 methyl furfuryl disulfideFL/FR
creamy
 acetoin butyrateFL
3-octen-2-oneFL/FR
estery
 octyl propionateFL/FR
 propyl acetateFL/FR
ethereal
 methyl isobutyrateFL/FR
isopropenyl acetateFL/FR
fatty
 methyl decanoateFL/FR
(E)-7-methyl-3-octen-2-oneFL/FR
floral
(S)-citronellyl acetateFL/FR
 citronellyl hexanoateFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 geraniolFL/FR
 geranyl isobutyrateFL/FR
 heliotropyl acetateFL/FR
 linalyl butyrateFL/FR
(E)-alpha-methyl ionone (74-80%)FL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 orris rhizome concrete butter (iris pallida)FL/FR
 orris rhizome resinoid (iris pallida)FL/FR
 rhodinyl butyrateFL/FR
fruity
 acetyl methyl anthranilateFL/FR
isoamyl 2-methyl butyrateFL/FR
isoamyl acetateFL/FR
 amyl butyrateFL/FR
 amyl heptanoateFL/FR
isoamyl propionateFL/FR
 apricot essenceFL/FR
 artemisia pallens herb oilFL/FR
 benzyl acetateFL/FR
 benzyl butyrateFL/FR
 benzyl isobutyrateFL/FR
 benzyl propionateFL/FR
3-benzyl-4-heptanoneFL/FR
 berry pentadienoateFL/FR
isobutyl acetateFL/FR
isobutyl anthranilateFL/FR
 butyl anthranilateFL/FR
isobutyl butyrateFL/FR
 butyl hexanoateFL/FR
isobutyl propionateFL/FR
 butyl propionateFL/FR
 butyl valerateFL/FR
 cherry pentenoateFL/FR
 citronellyl butyrateFL/FR
 citronellyl isobutyrateFL/FR
 cyclohexyl propionateFL/FR
(E)-beta-damasconeFL/FR
(Z)-beta-damasconeFL/FR
alpha-damasconeFL/FR
 ethyl 3-oxohexanoateFL
 ethyl anthranilateFL/FR
 ethyl benzoyl acetateFL/FR
2-ethyl butyl acetateFL/FR
 ethyl levulinateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
 ethyl valerateFL/FR
 filbert hexenoneFL/FR
 fruity ketalFL/FR
 furfuryl isovalerateFL
 geranyl butyrateFL/FR
 heliotropyl isobutyrateFL/FR
2-heptanolFL/FR
 methoxymelonalFL/FR
 methyl 2-methyl valerateFL/FR
 methyl 4-methyl valerateFL/FR
para-methyl benzyl acetateFL/FR
2-methyl butyl acetateFL/FR
 methyl heptanoateFL/FR
alpha-methyl iononeFL/FR
 methyl propionateFL/FR
 nerolin fragarolFL/FR
 neryl isobutyrateFL/FR
3-nonanon-1-yl acetateFL/FR
 osmanthus concreteFL/FR
 osmanthus flower absoluteFL/FR
2-pentanoneFL/FR
 phenethyl butyrateFL/FR
 phenethyl isovalerateFL/FR
 prenyl acetateFL/FR
 propyl formateFL/FR
 propyl isobutyrateFL/FR
 sambucus canadensis fruit absoluteFL/FR
 star fruit oil cubaFL/FR
 strawberry glycidate 1 (aldehyde C-16 (so-called))FL/FR
 strawberry glycidate 2FL/FR
 styralyl butyrateFL/FR
 tagete oil madagascarFL/FR
 terpinyl valerateFL/FR
4-(para-tolyl)-2-butanoneFL/FR
 tropical trithianeFL/FR
 vanilla carboxylateFL/FR
fusel
isoamyl alcoholFL/FR
green
 benzaldehyde dimethyl acetalFL/FR
isobutyl isovalerateFL/FR
(E)-citronellyl tiglateFL/FR
 cyclohexyl ethyl acetateFL/FR
 cyclohexyl formateFL/FR
 geranyl isovalerateFL/FR
(Z)-3-hexen-1-yl 2-methyl butyrateFL/FR
 hexyl isobutyrateFL/FR
 hexyl isovalerateFL/FR
 hexyl octanoateFL/FR
isojasmoneFL/FR
herbal
isodihydrolavandulalFL/FR
honey
 phenethyl isobutyrateFL/FR
jammy
(S)-campholene acetateFL/FR
 maltyl isobutyrateFL/FR
minty
 thiogeraniolFL/FR
oily
3-nonen-2-oneFL/FR
pine
 pine needle oil dwarfFL/FR
soapy
 ambrettolideFL/FR
sour
2-methyl-2-pentenoic acidFL/FR
spicy
 cinnamyl formateFL/FR
 methyl cinnamateFL/FR
 spicy acetoacetateFL/FR
sulfurous
 buchu mercaptanFL/FR
 mango thiolFL/FR
tropical
3-mercaptohexyl acetateFL/FR
waxy
 butyl undecylenateFL/FR
(±)-3-methyl-gamma-decalactoneFL/FR
4-phenyl-3-buten-2-olFL/FR
 propyl heptanoateFL/FR
winey
 valeraldehydeFL/FR
woody
 ambrette seed absoluteFL/FR
 bornyl valerateFL/FR
beta-damascenoneFL/FR
beta-iononeFL/FR
beta-ionyl acetateFL/FR
 juniper berry oleoresinFL/FR
 methyl ionyl acetateFL/FR
 
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Potential Uses:
 bananaFR
 berryFR
 cherryFR
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Occurrence (nature, food, other): note
 narcissus tazetta var. chinensis
Search Trop  Picture
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Synonyms:
 benzoic acid 2-propenyl ester
 benzoic acid allyl ester
 benzoic acid, 2-propen-1-yl ester
 prop-2-en-1-yl benzoate
 prop-2-enyl benzoate
2-propenyl benzoate
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