benzyl methyl tiglate
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IUPAC name :benzyl 2,3-dimethylbut-2-enoate
InChI :InChI=1/C13H16O2/c1-10(2)11(3)13(14)15-9-12-7-5-4-6-8-12/h4-8H,9H2,1-3H3
InChIKey :LHDWSNQMWAZQPX-UHFFFAOYAY
SMILES :CC(=C(C)C(=O)OCC1=CC=CC=C1)C
cas number :7492-69-5
fema number :2143
coe number :11868
jecfa number :847
fl. number :09.508
molar refractivity :60.48 ± 0.3 cm3
parachor :487.1 ± 4.0 cm3
index of refraction :1.512 ± 0.02
surface tension :34.1 ± 3.0 dyne/cm
density :1.013 ± 0.06 g/cm3
polarizability :23.97 ± 0.5 10-24cm3
XlogP : 3.00
XlogP3-AA : 3.40
molecular weight : 204.2649400 (IUPAC)
formula :C13 H16 O2
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :172.515

Suppliers :
Nanjing :benzyl methyl tiglate

organoleptics :
odor type :herbal
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
warm herbal fruity spicy

properties :
appearence :colorless to pale yellow clear oily liquid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.01700 to 1.02300 @ 25.00 °C.
pounds per gallon - calc. : 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
flash point : 296.00  °F.  TCC  ( 146.67 °C. )
logP (o/w) : 3.90

safety :
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in 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
 
recommendation for benzyl methyl tiglate usage levels up to :
 not for fragrance use.
recommendation for benzyl methyl tiglate usage levels up to :
  4.0000 ppm in the flavor.

safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
Canada Domestic Sub. List :Yes
 
 
 
 benzyl 2,3-dimethylbut-2-enoate
chemidplus :007492695
EPA Substance Registry Services :7492-69-5

references :
 benzyl 2,3-dimethylbut-2-enoate
fl. number :09.508
jecfa number :847
pubchem :197659

other :
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 benzyl 2,3-dimethyl crotonate
 benzyl 2,3-dimethyl-(E)-2-butenoate
 benzyl 2,3-dimethyl-2-butenoate
 benzyl 2,3-dimethylbut-2-enoate
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-dimethylbut-2-enoate

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 agrumen nitrile
 allyl amyl glycolate
 allyl butyrate
isoamyl benzoate
isoamyl butyrate
alpha-amyl cinnamaldehyde
isoamyl formate
 amyl furoate
isoamyl heptanoate
isoamyl isovalerate
isoamyl octanoate
para-anisyl methyl ketone
para-anisyl propionate
 benzyl acetone
 benzyl formate
 birch oil sweet america
 boronia absolute
isobutyl (E,E)-2,4-decadienamide
 butyl heptanoate
isobutyl heptanoate
 butyl isobutyrate
 butyl levulinate
isobutyl methyl ketone
isobutyl propionate
 butyl tiglate
sec-butyl-3-methyl but-2-ene thioate
 cadinadiene
 calamenene
 carrot leaf oil
 carrot weed oil
 carvacryl ethyl ether
 carvacryl methyl ether
 cassis methanol
 chamomile propionate
 chamomile valerate
 cherry pentenoate
 cinnamaldehyde dimethyl acetal
 cinnamyl alcohol
(E)-cinnamyl alcohol
 cinnamyl propionate
 coriander oleoresin
 coriander seed absolute
 coriander seed oil
(-)-cubenol
 cuminyl acetate
 cuminyl alcohol
 currant bud absolute black
beta-cyclocitral
2-cyclopentyl cyclopentanone
alpha-decalactone
 dehydroxylinalool oxide
 diethyl malate
 diethyl malonate
 dihydrojasmone
2,4-dimethyl anisole
 dimethyl benzyl carbinyl butyrate
 dimethyl succinate
(E,E)-2,4-dodecadien-1-ol
 ethyl (E)-2-octenoate
 ethyl 2-cyclohexyl propionate
 ethyl 2-octenoate
 ethyl 3-acetoxyhexanoate
 ethyl 3,5,5-trimethyl hexanoate
 ethyl 4-pentenoate
 ethyl acetoacetate
 ethyl cinnamate
5-ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one
5-ethyl-3,4,5,6-tetramethyl cyclohexen-2-one
 furfuryl propionate
 geranyl tiglate
 ginger oleoresin
 guaiyl acetate
 heptanal cyclic ethylene acetal
2-heptanol
2-heptanone
 herbal acetal
2-hexen-1-al
(E)-2-hexen-1-al diethyl acetal
2-hexen-1-al diethyl acetal
2-hexen-1-ol
(E)-3-hexen-1-yl acetate
(E)-2-hexen-1-yl formate
(E)-2-hexen-1-yl hexanoate
(Z)-3-hexen-1-yl hexanoate
(Z)-3-hexen-1-yl isobutyrate
(E)-2-hexenoic acid
 hexyl (E)-2-hexenoate
 hexyl 2-butenoate
 hexyl 3-mercaptobutanoate
 hexyl acetate
 hexyl octanoate
 hexyl tiglate
2-hexylidene cyclopentanone
 lavender absolute
 lavender absolute france
 linalyl octanoate
 marjoram oil sweet cuba
 marjoram oil sweet cyprus
 marjoram oil sweet egypt
 marjoram oil sweet morocco
 melon valerate
para-menth-1-en-9-al
para-menth-1-ene-9-ol
 menthadienyl formate
1-para-menthen-9-yl acetate
 menthone-8-thioacetate
 methyl (E)-2-hexenoate
 methyl (E)-3-nonenoate
 methyl (E)-3-nonenoate
 methyl 2-undecynoate
 methyl benzyl acetate (mixed ortho-,meta-,para-)
2-methyl butyl 2-methyl butyrate
2-methyl butyl isovalerate
 methyl heptanoate
 methyl hexyl ether
 methyl R-3-acetoxyhexanoate
2-methyl valeraldehyde
(E)-2-methyl-2-octen-1-al
2-methyl-2-octen-1-al
3-methyl-3-pentanol
T-muurolol
 myrtenyl acetate
 nerolidyl isobutyrate
 nonan-3-yl acetate
3-nonanol
3-nonanone
 nonisyl acetate
(E,E)-3,5-octadien-2-one
 octanal diethyl acetal
2-octanol
3-octanon-1-ol
 octen-1-yl cyclopentanone
3-octen-2-one
 octyl 2-methyl butyrate
 octyl butyrate
 orris capronate
 parsley seed oil
 patchouli absolute
2-pentyl furan
 perillyl acetate
beta-sesquiphellandrene
 phenoxyethyl isobutyrate
 pineapple pentenoate
 prenol
 prenyl ethyl ether
 prenyl hexanoate
 privet dioxane
 propyl 2-furan acrylate
isopropyl 2-methyl butyrate
 propylene acetal
 rhodinyl isobutyrate
 rhubarb undecane
 rose carboxylate
 rose undecene
 rue flower oil colombia
 rue oil
 rue oil cuba
 saffron indenone
 safranal
 spathulenol
 tagete flower oil rwanda
 tagete oil
 tagete oil CO2 extract
 tagete oil india
 tagete oil turkey
 tagete oil zambia
 terpinyl isobutyrate
 tetrahydrofurfuryl butyrate
 thymyl methyl ether
 timber dioxolane
 tolu balsam oil
 tricyclodecenyl propionate
 tropical indene
 tropical thiazole
 violet dienyne
 viridiflorol

(odor and/or flavor) used in :
 fruit
 green
 herbal
 spice

natural occurrence in :
not found in nature



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