butyl tiglate
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :butyl (E)-2-methylbut-2-enoate
InChI :InChI=1/C9H16O2/c1-4-6-7-11-9(10)8(3)5-2/h5H,4,6-7H2,1-3H3/b8-5+
InChIKey :RBGFLIOXJWFKKX-VMPITWQZBM
SMILES :CCCCOC(=O)/C(=C/C)/C
(EINECS) number :232-086-2
cas number :7785-66-2
molar refractivity :45.42 ± 0.3 cm3
parachor :398.3 ± 4.0 cm3
index of refraction :1.435 ± 0.02
surface tension :27.4 ± 3.0 dyne/cm
density :0.897 ± 0.06 g/cm3
polarizability :18.00 ± 0.5 10-24cm3
xlogp : 2.60
molecular weight : 156.2221400
formula :C9 H16 O2
 
 
IUPAC name :butyl (Z)-2-methylbut-2-enoate
InChI :InChI=1/C9H16O2/c1-4-6-7-11-9(10)8(3)5-2/h5H,4,6-7H2,1-3H3/b8-5-
InChIKey :RBGFLIOXJWFKKX-YVMONPNEBU
SMILES :CCCCOC(=O)/C(=C\C)/C
cas number :7785-66-2
molar refractivity :45.42 ± 0.3 cm3
parachor :398.3 ± 4.0 cm3
index of refraction :1.435 ± 0.02
surface tension :27.4 ± 3.0 dyne/cm
density :0.897 ± 0.06 g/cm3
polarizability :18.00 ± 0.5 10-24cm3
xlogp : 2.60
molecular weight : 156.2221400
formula :C9 H16 O2
 
 
export tariff code :2916.19.6000
fda reg :unspecified
 

Suppliers :
Bedoukian Research :n-BUTYL TIGLATE
 ≥98.0%, Kosher
 
 

organoleptics :
odor type :floral
odor strength :medium
odor description :
at 100.00 %.  
floral herbal warm fruity

properties :
appearence :colorless clear liquid
assay : 98.00 - 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.90000 - 0.91100 @ 25.00 °C.
pounds per gallon - calc. : 7.489 to 7.580
refractive index :1.43500 - 1.44500 @ 20.00 °C.
boiling point : 196.00 °C. @ 760.00 mm Hg
logp : 3.46

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 161.00  °F.  TCC  ( 71.67 °C. )
  
recommendation for butyl tiglate usage levels up to :
  1.0000 % in the fragrance concentrate.
  

safety links :
(EINECS) number :232-086-2
chemidplus :007785662
epa-srs :7785-66-2
  
chemidplus :007785640
epa-srs :7785-66-2
  
EPI System :Click here

other :
 

references :
pubchem :659156
NIST Chemistry WebBook :3282061665
  
pubchem :659154
NIST Chemistry WebBook :798907516
  
synonyms :
 butyl (E)-2-methyl-2-butenoate
(E)-butyl 2-methyl crotonate
 butyl tiglate
(2E)-2-methyl-2-butenoic acid butyl ester
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
 acetal 318
1-acetyl cyclohexyl acetate
isoamyl 3-(2-furan) propionate
 amyl angelate
isoamyl angelate
alpha-amyl cinnamaldehyde
 amyl furoate
isoamyl heptanoate
 amyl salicylate
isoamyl salicylate
para-anisyl formate
para-anisyl propionate
 benzaldehyde / methyl anthranilate schiff's base
 benzyl acetate
 benzyl acetoacetate
 benzyl acetone
 benzyl cinnamate
 benzyl formate
 benzyl methyl tiglate
 berry hexanoate
beta-bisabolol
isobutyl anthranilate
isobutyl benzyl carbinol
isobutyl furyl propionate
 butyl heptanoate
isobutyl heptanoate
 butyl levulinate
isobutyl methyl ketone
2-butyl thiophene
 butyl undecylenate
 carrot seed oil spain
 cassis methanol
 chamomile isobutyrate
 chamomile propionate
 chamomile valerate
 chrysanthemum ketone
 cinnamyl formate
 citronellyl butyrate
 citronellyl hexanoate
 citronellyl isobutyrate
 citronellyl propionate
(E)-citronellyl tiglate
 clary propyl acetate
 coriander seed absolute
 coriander seed oil
 cuminyl acetate
(E)-beta-damascone
(Z)-beta-damascone
beta-damascone
2-decalinyl acetate
 diethyl malate
2,4-difurfuryl furan
 dihydrojasmone
 dimethyl benzyl carbinyl acetate
 dimethyl benzyl carbinyl butyrate
 dimethyl salicylate
2,4-dimethyl-3-cyclohexene-1-methanol
S-(2,5-dimethyl-3-furyl) ethane thioate
(E+Z)-4,8-dimethyl-3,7-nonadien-2-one
 ethyl 2-furoate
 ethyl 4-pentenoate
 ethyl levulinate
 ethyl linalool
 ethyl linalyl acetal
4-ethyl octanoic acid
 geraniol
 geranyl tiglate
2-heptanol
 heptyl formate
 heptyl isobutyrate
 herbal pyran
(Z)-3-hexen-1-yl isovalerate
(E)-2-hexenoic acid
 hexoxyacetaldehyde dimethyl acetal
 hexyl tiglate
2-hexyl-4-acetoxytetrahydrofuran
beta-ionol
(Z)-jasmone
 karo karounde absolute
 lavandin oil
 lavender absolute
 lavender oil france
 lavender oil greece
 linalyl octanoate
para-menth-1-ene-9-ol
 menthadienyl formate
1-para-menthen-9-yl acetate
 menthone-8-thioacetate
3-mercaptohexyl acetate
 methoxymelonal
 methyl (Z)-3-hexenoate
 methyl 4-phenyl butyrate
 methyl alpha-ionone
 methyl benzyl acetate (mixed ortho-,meta-,para-)
2-methyl butyl isovalerate
 methyl cyclogeranate
 methyl decanoate
 methyl hexyl ether
alpha-isomethyl ionone (90% min.)
 methyl ionyl acetate
 methyl isobutyrate
(E)-7-methyl-3-octen-2-one
 myrtenyl acetate
 myrtle oil
 nonan-3-yl acetate
3-nonanon-1-yl acetate
3-nonanone
(Z)-beta-ocimene
3-octanon-1-ol
 orris capronate
beta-sesquiphellandrene
 phenethyl isobutyrate
 phenethyl isovalerate
1-phenyl propyl butyrate
2-phenyl propyl isobutyrate
4-phenyl-3-buten-2-ol
2-phenyl-4-pentenal
isophytol
 prenyl salicylate
isopropyl benzoate
 rhubarb pyran
 rose undecene
 rue oil
 spathulenol
 tagete oil
 terpinyl isobutyrate
 terpinyl valerate
 tetrahydroionyl acetate
4-(para-tolyl)-2-butanone
 tricyclodecenyl propionate
 tropical ionone
 viridiflorol
(odor and/or flavor) used in :
 floral
 fruit
 herbal
natural occurrence in :
data pagelavandin oil abrialis @ 0.15%
data pagelavandin oil grosso @ 0.10%



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