allyl tiglate
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IUPAC name :prop-2-enyl (E)-2-methylbut-2-enoate
InChI :InChI=1/C8H12O2/c1-4-6-10-8(9)7(3)5-2/h4-5H,1,6H2,2-3H3/b7-5+
InChIKey :ODOZNBUSHKFCSH-FNORWQNLBA
SMILES :C\C=C(/C)\C(=O)OCC=C
cas number :7493-71-2
(EINECS) number :231-333-1
fema number :2043
coe number :2183
jecfa number :10
fl. number :09.493
molar refractivity :40.51 ± 0.3 cm3
parachor :347.5 ± 4.0 cm3
index of refraction :1.443 ± 0.02
surface tension :26.9 ± 3.0 dyne/cm
density :0.918 ± 0.06 g/cm3
polarizability :16.06 ± 0.5 10-24cm3
XlogP : 1.80
XlogP3-AA : 2.00
molecular weight : 140.1796800 (IUPAC)
formula :C8 H12 O2
NMR Predictor :Predict
 
 
export tariff code :2916.19.4000
fda reg :172.515

Suppliers :
Inoue :ALLYL TIGLATE
Nanjing :allyl tiglate
Penta :allyl tiglate
Sigma-Aldrich-SAFC :Allyl tiglate
≥97%
Odor:  berry; jam; green

organoleptics :
odor type :green
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 100.00 %.  
green fruity berry

properties :
appearence :colorless to pale yellow clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.93900 to 0.94300 @ 25.00 °C.
pounds per gallon - calc. : 7.813 to 7.847
refractive index :1.45100 to 1.45400 @ 20.00 °C.
boiling point : 152.00 to 154.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
flash point : 140.00  °F.  TCC  ( 60.00 °C. )
logP (o/w) : 2.62

safety :
most important hazard(s) :Xn - Harmful.
  R 22 - Harmful if swallowed.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37 - Wear suitable protective clothing and gloves.
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 tiglate usage levels up to :
 not for fragrance use.
recommendation for allyl tiglate usage levels up to :
  3.0000 ppm in the flavor.

safety references :
EPI System :view
IFRA :IFRA - ( Found under : Allyl esters )
Canada Domestic Sub. List :Yes
WISER :UN 3272
 
WGK Germany :3
 
 
 
 prop-2-enyl (E)-2-methylbut-2-enoate
(EINECS) number :231-333-1
chemidplus :007493712
EPA Substance Registry Services :7493-71-2

references :
 prop-2-enyl (E)-2-methylbut-2-enoate
fl. number :09.493
jecfa number :10
NIST Chemistry WebBook :2820837799
pubchem :197666

other :
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 allyl (E)-2-methyl-2-butenoate
 allyl 2-methyl crotonate
 allyl trans-2-methyl-2-butenoate
 prop-2-enyl (E)-2-methylbut-2-enoate
 tiglic acid allyl ester

soluble in :
 alcohol
 water, slightly

insoluble in :
 water

(odor and/or flavor) blends with :
 acetaldehyde benzyl 2-methoxyethyl acetal
 acetaldehyde dihexyl acetal
 acetaldehyde methyl hexyl acetal
 allyl amyl glycolate
 allyl butyrate
 ambrette seed absolute
delta6-isoambrettolide
isoamyl benzoate
isoamyl butyrate
alpha-amyl cinnamaldehyde diethyl acetal
isoamyl formate
 amyl hexanoate
isoamyl isovalerate
isoamyl octanoate
3-benzyl-4-heptanone
 berry hexanoate
 berry pentadienoate
 blackberry thiophenone
 bois de rose oil
 buchu mercaptan
 butyl 2-methyl butyrate
 butyl hexanoate
 butyl isobutyrate
isobutyl propionate
 butyl valerate
 cherry pentenoate
 citronellyl propionate
 cognac heptanone
 coranol
para-cresyl isobutyrate
beta-cyclocitral
2-cyclopentyl cyclopentanone
alpha-damascone
gamma-damascone
alpha-decalactone
3-decen-2-one
9-decenoic acid
 diethyl malonate
 dihydrolinalool
 dimethyl succinate
6,8-dimethyl-2-nonanol
3,6-dimethyl-3-octanol
(E,E)-2,4-dodecadien-1-ol
 ethyl (E)-2-hexenoate
 ethyl (E)-2-octenoate
 ethyl (E)-4-decenoate
 ethyl 2-cyclohexyl propionate
 ethyl 2-hydroxy-3-methyl valerate
 ethyl 2-octenoate
 ethyl 3-acetoxyhexanoate
 ethyl 3-oxohexanoate
 ethyl 3,5,5-trimethyl hexanoate
 ethyl acetoacetate
2-ethyl butyric acid
 ethyl linalool
 ethyl linalyl acetal
 ethyl linalyl acetate
 ethyl linalyl ether
 ethyl methyl-para-tolyl glycidate
2-ethyl-4-butanol
 furfuryl isovalerate
 furfuryl propionate
(E)-geranyl acetone
 geranyl isovalerate
 green dioxolane
 heliotropyl isobutyrate
(E,E)-2,4-heptadien-1-ol
 heptanal cyclic ethylene acetal
2-heptanol
 heptyl isobutyrate
 hexanal propylene glycol acetal
2-hexen-1-al
(E)-2-hexen-1-al diethyl acetal
2-hexen-1-al diethyl acetal
2-hexen-1-ol
(Z)-3-hexen-1-yl (E)-2-hexenoate
(Z)-3-hexen-1-yl 2-methyl butyrate
(Z)-3-hexen-1-yl 2-methyl-2-pentenoate
(E)-2-hexen-1-yl acetate
(E)-3-hexen-1-yl acetate
(Z)-3-hexen-1-yl acetate
2-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
(Z)-3-hexen-1-yl isovalerate
(E)-2-hexen-1-yl propionate
(E)-2-hexen-1-yl valerate
(Z)-3-hexen-1-yl valerate
1-hexen-3-yl acetate
 hexyl (E)-2-hexenoate
 hexyl 2-butenoate
 hexyl acetate
 hexyl butyrate
 hexyl isobutyrate
 hexyl isovalerate
 hexyl octanoate
 hexyl pivalate
 hexyl propionate
beta-ionone
beta-ionone epoxide
 lily propanol
 linalool
dextro-linalool
laevo-linalool
 linalool oxide
 linalyl anthranilate
 linalyl hexanoate
 maltyl isobutyrate
 melon valerate
dextro,laevo-menthyl acetate
 methyl (E)-2-hexenoate
 methyl (E)-3-nonenoate
 methyl (E)-3-nonenoate
 methyl 2-hexenoate
 methyl 2-methyl valerate
 methyl 2-undecynoate
 methyl 4-pentenoate
2-methyl butyl 2-methyl butyrate
 methyl furfuryl disulfide
(E)-methyl geranate
 methyl heptanoate
 methyl R-3-acetoxyhexanoate
2-methyl valeraldehyde
 methyl valerate
3-methyl valeric acid
(E)-2-methyl-2-octen-1-al
2-methyl-2-octen-1-al
3-methyl-3-pentanol
 nerolidyl isobutyrate
 nerolin fragarol
(E)-5-nonen-2-one
3-nonen-2-one
(E,E)-3,5-octadien-2-one
(E)-2-octen-1-yl butyrate
 octen-1-yl cyclopentanone
(E)-2-octen-4-ol
 octyl 2-methyl butyrate
 octyl butyrate
 octyl phenyl acetate
 osmanthus absolute
 papaya isobutyrate
(E)-2-penten-1-al
2-pentyl furan
 phenoxyethyl isobutyrate
4-phenyl-2-butyl acetate
 pineapple pentenoate
 prenyl ethyl ether
 prenyl hexanoate
isopropenyl acetate
isopropyl 2-methyl butyrate
 propyl formate
alpha-isopropyl phenyl acetaldehyde
 propylene acetal
 rhubarb undecane
 rose carboxylate
 sorbyl isobutyrate
 styralyl butyrate
 tetrahydrofurfuryl butyrate
 tetrahydrolinalool
 thiogeraniol
 tiglaldehyde
 timber dioxolane
 tricyclodecyl acetate
 tropical indene
 tropical thiazole
 valeraldehyde
 vanilla carboxylate
 violet dienyne
 woody acetate

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

natural occurrence in :
not found in nature



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Html Last modified 11/15/2009