benzyl methyl tiglate
benzyl 2,3-dimethylcrotonate
 
Notes:
Flavouring agent
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CAS Number: 7492-69-5Picture of molecule3D/inchi
FDA UNII: Q2Z1O33EAA
Nikkaji Web: J1.536.419J
CoE Number: 11868
XlogP3-AA: 3.40 (est)
Molecular Weight: 204.26892000
Formula: C13 H16 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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JECFA Food Flavoring: 847  benzyl 2,3-dimethylcrotonate
DG SANTE Food Flavourings: 09.508  benzyl 2,3-dimethylcrotonate
FEMA Number: 2143 benzyl 2,3-dimethylcrotonate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):7492-69-5 ; BENZYL 2,3-DIMETHYLCROTONATE
FDA Regulation:
FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION
Subpart F--Flavoring Agents and Related Substances
Sec. 172.515 Synthetic flavoring substances and adjuvants.
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Physical Properties:
Appearance: colorless to pale yellow clear oily liquid (est)
Assay: 97.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 1.01700 to 1.02300 @  25.00 °C.
Pounds per Gallon - (est).: 8.462 to  8.512
Refractive Index: 1.51000 to 1.51700 @  20.00 °C.
Boiling Point: 259.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure: 0.002000 mmHg @ 25.00 °C. (est)
Flash Point: 296.00 °F. TCC ( 146.67 °C. )
logP (o/w): 3.454 (est)
Soluble in:
 alcohol
 water, 17.87 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items: note
allyl tiglate
amyl tiglate
isoamyl tiglate
benzyl tiglate
butyl tiglate
isobutyl tiglate
cinnamyl tiglate
(E)-citronellyl tiglate
(E)-ethyl tiglate
geranyl methyl tiglate
geranyl tiglate
(Z)-3-hexen-1-yl tiglate
hexyl tiglate
methyl tiglate
3-octyl tiglate
phenethyl tiglate
propyl tiglate
isopropyl tiglate
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Organoleptic Properties:
 
Odor Type: herbal
 
 warm  herbal  fruity  spicy  
Odor Description:
at 10.00 % in dipropylene glycol. 
warm herbal fruity spicy
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Parchem
Benzyl Methyl Tiglate
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the CSA
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Safety Information:
 
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: flavoring agents
Recommendation for benzyl methyl tiglate usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 1.00 (μg/capita/day)
Structure Class: I
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 3
Click here to view publication 3
 average usual ppmaverage maximum ppm
baked goods: -1.50000
beverages(nonalcoholic): -0.75000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -2.80000
fruit ices: -2.80000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -1.80000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
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Safety References:
Flavor & Extract Manufacturers Association (FEMA) reference(s):
The FEMA GRAS assessment of benzyl derivatives used as flavor ingredients. View pdf
European Food Safety Athority(EFSA): Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
European Food Safety Authority (EFSA) reference(s):
Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) on a request from the Commission related to Flavouring Group Evaluation 20 (FGE.20): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical group 23
View page or View pdf
Flavouring Group Evaluation 54 (FGE.54)[1] - Consideration of benzyl derivatives evaluated by JECFA (57th meeting) structurally related to benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters evaluated by EFSA in FGE.20 (2005) - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf
Flavouring Group Evaluation 20, Revision 1 (FGE.20Rev1): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters from chemical group 23
View page or View pdf
Flavouring Group Evaluation 54, Revision 1 (FGE.54Rev1): Consideration of benzyl derivatives evaluated by JECFA (57th meeting) structurally related to benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters evaluated by EFSA in FGE.20Rev1 (2009)
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 20, Revision 2 (FGE.20Rev2): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 20, Revision 3(FGE.20Rev3): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30
View page or View pdf
EPI System: View
AIDS Citations: Search
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EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 61402
National Institute of Allergy and Infectious Diseases: Data
 benzyl 2,3-dimethylbut-2-enoate
Chemidplus: 0007492695
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References:
 benzyl 2,3-dimethylbut-2-enoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 7492-69-5
Pubchem (cid): 61402
Pubchem (sid): 135018884
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Other Information:
(IUPAC): Atomic Weights of the Elements 2011 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS): View
HMDB (The Human Metabolome Database): HMDB36224
FooDB: FDB015082
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
No odor group found for these
 tagete oil rwanda 
 calamenene 
para-menth-1-en-9-alFL/FR
aldehydic
 agrumen nitrileFR
anisic
 amyl furoateFL/FR
 ethyl para-anisateFL/FR
balsamic
isoamyl benzoateFL/FR
 butyl cinnamateFL/FR
(E)-cinnamyl alcoholFL/FR
 cinnamyl alcoholFL/FR
 ethyl cinnamateFL/FR
 guaiyl acetateFL/FR
 tolu balsam oilFL/FR
caramellic
 diethyl malateFL/FR
5-ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-oneFL/FR
cheesy
2-heptanoneFL/FR
citrus
2-heptanolFL/FR
earthy
3-octen-2-oneFL/FR
 pinus sylvestris leaf absoluteFL/FR
 spathulenol 
ethereal
 ethyl 4-pentenoateFL/FR
2-methyl valeraldehydeFL/FR
fatty
 methyl (E)-2-hexenoateFL/FR
floral
isoamyl angelateFL/FR
alpha-amyl cinnamaldehydeFL/FR
 benzyl acetoneFL/FR
 benzyl formateFL/FR
 boronia absoluteFL/FR
 butyl tiglateFR
 cassis cyclohexeneFR
 coriander seed oilFL/FR
 dihydrojasmoneFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 geranyl tiglateFL/FR
2-hexylidene cyclopentanoneFL/FR
 jasmin absolute egypt (from concrete)FL/FR
 magnolia flower oil CO2 extractFL/FR
 menthadienyl formateFR
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
 nonan-3-yl acetateFL/FR
3-nonanoneFL/FR
 rhodinyl isobutyrateFL/FR
 rose carboxylateFR
 rose undeceneFR
 terpinyl isobutyrateFL/FR
 ylang ylang flower oil IIIFL/FR
fruity
 allyl amyl glycolateFR
 allyl butyrateFL/FR
isoamyl butyrateFL/FR
isoamyl isovalerateFL/FR
isoamyl octanoateFL/FR
para-anisyl methyl ketoneFL/FR
para-anisyl propionateFL/FR
 butyl isobutyrateFL/FR
isobutyl propionateFL/FR
 cherry pentenoateFL/FR
2-cyclopentyl cyclopentanoneFL/FR
 diethyl malonateFL/FR
 dimethyl succinateFL/FR
 ethyl 2-cyclohexyl propionateFR
 ethyl 2-octenoateFL/FR
 ethyl 3-acetoxyhexanoateFL/FR
 ethyl 3,5,5-trimethyl hexanoateFR
 ethyl acetoacetateFL/FR
 heptanal cyclic ethylene acetalFR
2-hexen-1-olFL/FR
(E)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
 hexyl (E)-tiglateFL/FR
 hexyl acetateFL/FR
para-menth-1-ene-9-olFL/FR
 methyl 3-nonenoateFL/FR
2-methyl butyl 2-methyl butyrateFL/FR
2-methyl butyl isovalerateFL/FR
 methyl heptanoateFL/FR
 nerolidyl isobutyrateFR
 octen-1-yl cyclopentanoneFL/FR
 octyl butyrateFL/FR
2-pentyl furanFL/FR
 perillyl acetateFL/FR
 pineapple pentenoateFL/FR
 prenolFL/FR
 prenyl ethyl etherFL/FR
 prenyl hexanoateFL/FR
isopropyl 2-methyl butyrateFL/FR
 rhubarb undecaneFR
 strawberry furanone butyrateFL/FR
 tetrahydrofurfuryl butyrateFL/FR
 tropical indeneFR
 tropical thiazoleFL/FR
green
isoamyl formateFL/FR
isobutyl heptanoateFL/FR
 butyl heptanoateFL/FR
isobutyl methyl ketoneFL/FR
sec-butyl-3-methyl but-2-ene thioateFL/FR
 carrot leaf oil (daucus carota ssp.maximus)FR
alpha-decalactoneFL/FR
(E)-2-hexen-1-yl formateFL/FR
(E)-2-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
 hexyl octanoateFL/FR
 hexyl tiglateFL/FR
 manzanate (Givaudan)FL/FR
 methyl R-3-acetoxyhexanoate 
 octanal diethyl acetalFL/FR
 phenoxyethyl isobutyrateFL/FR
 privet dioxaneFR
 propylene acetalFL/FR
 violet dienyneFR
herbal
isoamyl heptanoateFL/FR
 buchu mercaptan acetateFL/FR
 butyl levulinateFL/FR
 carvacryl methyl etherFL/FR
 chamomile propionateFR
 chamomile valerateFR
 coriander oleoresinFL/FR
 coriander seed absoluteFL/FR
 cuminyl acetateFL/FR
 dehydroxylinalool oxideFL/FR
 dimethyl benzyl carbinyl crotonateFL/FR
 herbal acetalFR
 lavender absolute bulgariaFL/FR
 lavender absolute franceFL/FR
 linalyl formateFL/FR
 linalyl octanoateFL/FR
1-para-menthen-9-yl acetateFL/FR
 methyl hexyl etherFL/FR
T-muurololFL/FR
(1S,5R)-myrtenyl acetateFL/FR
 myrtle oilFL/FR
 myrtle oil moroccoFL/FR
3-nonanolFL/FR
 nonisyl acetateFR
3-octanon-1-olFL/FR
curled parsley seed oilFL/FR
beta-sesquiphellandrene 
 rue flower oil colombia 
 rue oilFL/FR
 rue oil cubaFL/FR
 saffron indenoneFL/FR
 safranalFL/FR
 tagete oil CO2 extractFL/FR
 tagete oil egyptFL/FR
 tagete oil indiaFL/FR
 tagete oil south africaFL/FR
 tagete oil turkeyFL/FR
 tagete oil zambiaFL/FR
 thymyl methyl etherFL/FR
 tricyclodecenyl propionateFR
 viridiflorolFL/FR
honey
 methyl phenyl acetateFL/FR
minty
 betula lenta bark oil americaFL/FR
orris
 orris capronateFL/FR
spicy
alpha-amyl cinnamyl alcoholFL/FR
isobutyl (E,E)-2,4-decadienamideFL/FR
 cadinadiene 
 carrot weed oilFL/FR
 carvacryl ethyl etherFL/FR
 cinnamaldehyde dimethyl acetalFL/FR
 cinnamyl propionateFL/FR
(-)-cubenolFL/FR
 cuminyl alcoholFL/FR
black currant bud absoluteFL/FR
 eugenyl isovalerateFL/FR
 ginger oleoresin africaFL/FR
sweet marjoram oil (origanum majorana var. tenuifolium weston) cyprus 
2-octanolFL/FR
 origanum majorana oilFL/FR
 origanum majorana oil cubaFL/FR
 origanum majorana oil moroccoFL/FR
(E)-propyl 2-furan acrylateFL/FR
tropical
beta-cyclocitralFL/FR
waxy
(E,E)-2,4-dodecadien-1-ol 
 octyl 2-methyl butyrateFL/FR
woody
beta-caryophyllene alcohol acetateFL/FR
 kaempferia galanga rhizome oilFL/FR
 patchouli absoluteFR
 spicy pentanoneFL/FR
 verdoxanFR
 
For Flavor
 
No flavor group found for these
isoamyl angelateFL/FR
 amyl furoateFL/FR
para-anisyl propionateFL/FR
isobutyl (E,E)-2,4-decadienamideFL/FR
 butyl cinnamateFL/FR
isobutyl heptanoateFL/FR
sec-butyl-3-methyl but-2-ene thioateFL/FR
 cadinadiene 
 calamenene 
 carvacryl ethyl etherFL/FR
 carvacryl methyl etherFL/FR
beta-caryophyllene alcohol acetateFL/FR
(E)-cinnamyl alcoholFL/FR
 cuminyl acetateFL/FR
2-cyclopentyl cyclopentanoneFL/FR
alpha-decalactoneFL/FR
 diethyl malateFL/FR
(±)-(cis+trans)-1,2-dihydroperillaldehydeFL
2,4-dimethyl anisoleFL
 dimethyl benzyl carbinyl crotonateFL/FR
(E,E)-2,4-dodecadien-1-ol 
 ethyl 3-acetoxyhexanoateFL/FR
 ethyl 4-pentenoateFL/FR
5-ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-oneFL/FR
 eugenyl isovalerateFL/FR
 guaiyl acetateFL/FR
2-hexenalFL
2-hexenal diethyl acetalFL
 hexyl (E)-2-hexenoateFL
2-hexylidene cyclopentanoneFL/FR
 linalyl formateFL/FR
 magnolia flower oil CO2 extractFL/FR
sweet marjoram oil (origanum majorana var. tenuifolium weston) cyprus 
para-menth-1-en-9-alFL/FR
 methyl (E)-2-hexenoateFL/FR
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
2-methyl-2-octenalFL
(E)-2-methyl-2-octenalFL
3-methyl-3-pentanolFL
T-muurololFL/FR
 myrtle oil moroccoFL/FR
 nonan-3-yl acetateFL/FR
3-nonanolFL/FR
(E,E)-3,5-octadien-2-oneFL
3-octanon-1-olFL/FR
beta-sesquiphellandrene 
 pinus sylvestris leaf absoluteFL/FR
 prenyl ethyl etherFL/FR
 prenyl hexanoateFL/FR
 propylene acetalFL/FR
 rue flower oil colombia 
 spathulenol 
 tagete oil rwanda 
 terpinyl isobutyrateFL/FR
 viridiflorolFL/FR
 althaea officinalis root tinctureFL
 hexyl 3-mercaptobutanoateFL
acidic
(E)-2-hexenoic acidFL
alliaceous
 tropical thiazoleFL/FR
anise
 ethyl para-anisateFL/FR
balsamic
 ethyl cinnamateFL/FR
 tolu balsam oilFL/FR
camphoreous
 kaempferia galanga rhizome oilFL/FR
caramellic
5-ethyl-3,4,5,6-tetramethyl cyclohexen-2-oneFL
cheesy
2-heptanoneFL/FR
cooling
 manzanate (Givaudan)FL/FR
creamy
 althaea officinalis root extractFL
2,4-heptadienalFL
3-octen-2-oneFL/FR
estery
 ethyl acetoacetateFL/FR
ethereal
 methyl hexyl etherFL/FR
fatty
2,4-undecadienalFL
floral
 cinnamyl propionateFL/FR
 dihydrojasmoneFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 geranyl tiglateFL/FR
 jasmin absolute egypt (from concrete)FL/FR
 methyl phenyl acetateFL/FR
 rhodinyl isobutyrateFL/FR
 ylang ylang flower oil IIIFL/FR
fruity
isoamyl benzoateFL/FR
isoamyl octanoateFL/FR
 benzyl acetoneFL/FR
 benzyl formateFL/FR
 boronia absoluteFL/FR
 buchu mercaptan acetateFL/FR
 butyl heptanoateFL/FR
 butyl isobutyrateFL/FR
isobutyl propionateFL/FR
 cherry pentenoateFL/FR
 diethyl malonateFL/FR
 dimethyl succinateFL/FR
 ethyl (E)-2-octenoateFL
 ethyl 2-octenoateFL/FR
 furfuryl propionateFL
2-heptanolFL/FR
2-hexen-1-olFL/FR
(E)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
 hexyl acetateFL/FR
 linalyl octanoateFL/FR
1-para-menthen-9-yl acetateFL/FR
 methyl (E)-3-nonenoateFL
 methyl 3-nonenoateFL/FR
2-methyl butyl 2-methyl butyrateFL/FR
2-methyl butyl isovalerateFL/FR
 methyl heptanoateFL/FR
 octen-1-yl cyclopentanoneFL/FR
 pineapple pentenoateFL/FR
 prenolFL/FR
(E)-propyl 2-furan acrylateFL/FR
isopropyl 2-methyl butyrateFL/FR
 spicy pentanoneFL/FR
 strawberry furanone butyrateFL/FR
 tagete oil CO2 extractFL/FR
 tagete oil south africaFL/FR
 tagete oil turkeyFL/FR
 tagete oil zambiaFL/FR
 tetrahydrofurfuryl butyrateFL/FR
green
 allyl butyrateFL/FR
isoamyl formateFL/FR
isoamyl isovalerateFL/FR
isobutyl methyl ketoneFL/FR
 carrot weed oilFL/FR
 cinnamyl alcoholFL/FR
(E)-2-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
(E)-2-hexenal diethyl acetalFL
 hexyl (E)-tiglateFL/FR
 hexyl octanoateFL/FR
 hexyl tiglateFL/FR
 methyl 2-undecynoateFL
 methyl R-3-acetoxyhexanoate 
3-nonanoneFL/FR
 octanal diethyl acetalFL/FR
2-pentyl furanFL/FR
 perillyl acetateFL/FR
 phenoxyethyl isobutyrateFL/FR
herbal
isoamyl heptanoateFL/FR
 butyl levulinateFL/FR
 coriander oleoresinFL/FR
 coriander seed absoluteFL/FR
 coriander seed oilFL/FR
 lavender absolute bulgariaFL/FR
 lavender absolute franceFL/FR
para-menth-1-ene-9-olFL/FR
 origanum majorana oilFL/FR
curled parsley seed oilFL/FR
 rue oilFL/FR
 rue oil cubaFL/FR
 saffron indenoneFL/FR
 tagete oil egyptFL/FR
 tagete oil indiaFL/FR
minty
 betula lenta bark oil americaFL/FR
musty
 thymyl methyl etherFL/FR
orris
 orris capronateFL/FR
rummy
(E)-2-hexen-1-yl formateFL/FR
spicy
alpha-amyl cinnamyl alcoholFL/FR
para-anisyl methyl ketoneFL/FR
 cinnamaldehyde dimethyl acetalFL/FR
(-)-cubenolFL/FR
 cuminyl alcoholFL/FR
black currant bud absoluteFL/FR
 ginger oleoresin africaFL/FR
 myrtle oilFL/FR
2-octanolFL/FR
 origanum majorana oil cubaFL/FR
 origanum majorana oil moroccoFL/FR
tropical
alpha-amyl cinnamaldehydeFL/FR
beta-cyclocitralFL/FR
vegetable
2-methyl valeraldehydeFL/FR
waxy
isoamyl butyrateFL/FR
 octyl 2-methyl butyrateFL/FR
 octyl butyrateFL/FR
woody
 dehydroxylinalool oxideFL/FR
(1S,5R)-myrtenyl acetateFL/FR
 safranalFL/FR
 
Synonyms   Articles   Notes   Search   Top
Potential Uses:
 fruitFR
 greenFL
 herbalFL
 spiceFL
Synonyms   Articles   Notes   Search   Top
Occurrence (nature, food, other): note
 not found in nature
Synonyms   Articles   Notes   Search   Top
Synonyms:
 benzyl 2,3-dimethyl crotonate
 benzyl 2,3-dimethyl-2-butenoate
 benzyl 2,3-dimethylbut-2-enoate
 benzyl 2,3-dimethylcrotonate
 benzyl methyltiglate
2-butenoic acid, 2,3-dimethyl-, phenylmethyl ester
 crotonic acid, 2,3-dimethyl-, benzyl ester
2,3-dimethyl crotonic acid benzyl ester
2,3-dimethyl-2-butenoic acid benzyl ester
2,3-dimethyl-2-butenoic acid phenyl methyl ester
 phenyl methyl 2,3-dimethyl-2-butenoate
 phenylmethyl 2,3-dimethyl-2-butenoate
 phenylmethyl 2,3-dimethylbut-2-enoate
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Synonyms   Articles   Notes   Search   Top
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