butyl 2-decenoate
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IUPAC name :butyl (E)-dec-2-enoate
InChI :InChI=1/C14H26O2/c1-3-5-7-8-9-10-11-12-14(15)16-13-6-4-2/h11-12H,3-10,13H2,1-2H3/b12-11+
InChIKey :DTCZJIDFDTTXSG-VAWYXSNFBO
SMILES :CCCCCCC/C=C/C(=O)OCCCC
cas number :7492-45-7
fema number :2194
coe number :2100
jecfa number :1348
fl. number :09.235
molar refractivity :68.74 ± 0.3 cm3
parachor :601.0 ± 4.0 cm3
index of refraction :1.448 ± 0.02
surface tension :30.0 ± 3.0 dyne/cm
density :0.881 ± 0.06 g/cm3
polarizability :27.25 ± 0.5 10-24cm3
XlogP : 5.30
XlogP3-AA : 5.30
molecular weight : 226.3550400 (IUPAC)
formula :C14 H26 O2
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :172.515

Suppliers :
Cargill - Alfrebro :BUTYL-2-DECENOATE
Kosher
Odor:  Fatty, coconut, walnut, peach, apricot.
Fontarome :BUTYL T2 DECENOATE
Odor:  Rich, oily, fruity odor of peach and apricot
Nanjing :FEMA 2194
Penta :butyl decylenate

organoleptics :
odor type :fruity
odor strength :medium
odor description :¹
at 100.00 %.  
fatty oily green dairy nasturtium clean citrus
odor sample from :Fontarome USA
substantivity :2 hour(s) at 100.00 %

properties :
appearence :colorless clear liquid
assay : 96.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.87000 to 0.88000 @ 25.00 °C.
pounds per gallon - calc. : 7.239 to 7.322
refractive index :1.44500 to 1.45000 @ 20.00 °C.
boiling point : 290.00 to 291.00 °C. @ 760.00 mm Hg
acid value : 2.00  max.  KOH/g
flash point : 280.00  °F.  TCC  ( 137.78 °C. )
logP (o/w) : 6.10

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

safety in use :
 
recommendation for butyl 2-decenoate usage levels up to :
  5.0000 % in the fragrance concentrate.
recommendation for butyl 2-decenoate usage levels up to :
  2000.0000 ppm in the flavor.

safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
 
 
 butyl (E)-dec-2-enoate
chemidplus :007492457
EPA Substance Registry Services :7492-45-7

references :
 butyl (E)-dec-2-enoate
fl. number :09.235
jecfa number :1348
pubchem :204168

other :
reference : Luebke, William tgsc, (2009)¹
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 butyl (E)-2-decenoate
 butyl (E)-dec-2-enoate
 butyl dec-2-enoate
 butyl decylenate
2-decenoic acid butyl ester

soluble in :
 alcohol
 water, 0.6 mg/L @ 25C

insoluble in :
 water

(odor and/or flavor) blends with :
 acetaldehyde benzyl 2-methoxyethyl acetal
 acetaldehyde dihexyl acetal
 acetaldehyde methyl hexyl acetal
 allyl 2-ethyl butyrate
 allyl amyl glycolate
 allyl butyrate
 allyl cinnamate
 allyl cyclohexyl valerate
 allyl propionate
 allyl tiglate
isoamyl benzoate
isoamyl butyrate
alpha-amyl cinnamaldehyde diethyl acetal
isoamyl formate
 amyl furoate
 amyl hexanoate
 amyl isobutyrate
isoamyl isobutyrate
isoamyl isovalerate
isoamyl laurate
isoamyl nonanoate
isoamyl octanoate
 amyl propionate
para-anisyl propionate
 apricot isobutyrate
 benzyl butyrate
 benzyl heptanoate
 benzyl hexanoate
 benzyl isobutyrate
 benzyl octanoate
 berry pentadienoate
 buchu mercaptan
2-butanol
 butyl 2-methyl butyrate
isobutyl decanoate
isobutyl hexanoate
 butyl isobutyrate
 butyl isovalerate
 butyl nonanoate
isobutyl propionate
 cherry pentenoate
 citronellyl formate
 citronellyl propionate
 cognac heptanone
 creamy lactone
para-cresyl isobutyrate
beta-cyclocitral
beta-homocyclocitral
 cyclohexyl cinnamate
2-cyclopentyl cyclopentanone
gamma-damascone
alpha-decalactone
delta-decalactone
gamma-decalactone
 decen-1-yl cyclopentanone
3-decen-2-one
9-decenoic acid
delta-decenolactone
 diethyl malonate
 dihydroactinidolide
alpha,alpha-dimethyl benzyl isobutyrate
 dimethyl succinate
6,8-dimethyl-2-nonanol
(E,E)-2,4-dodecadien-1-ol
delta-dodecalactone
epsilon-dodecalactone
gamma-dodecalactone
 ethyl (E)-2-hexenoate
 ethyl (E)-2-octenoate
 ethyl (E)-4-decenoate
 ethyl 2-cyclohexyl propionate
 ethyl 2-octenoate
 ethyl 3-acetoxyhexanoate
 ethyl 3,5,5-trimethyl hexanoate
 ethyl acetoacetate
 ethyl cyclohexane propionate
 ethyl methyl-para-tolyl glycidate
 ethyl octanoate
2-ethyl-4-butanol
 fruity butanate
 fruity cyclopentanone
 furfuryl octanoate
 furfuryl propionate
2-furyl pentyl ketone
(E)-geranyl acetone
 geranyl isobutyrate
 geranyl isovalerate
 glyceryl 5-hydroxydecanoate
 glyceryl 5-hydroxydodecanoate
 grapefruit menthane
 green dioxolane
(E,E)-2,4-heptadien-1-ol
 heptanal cyclic ethylene acetal
2-heptanol
 heptyl acetate
2-heptyl cyclopentanone
 heptyl isobutyrate
 heptyl propionate
 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-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
 jasmin lactone
 jasmin pyranone
 lily propanol
 linalyl hexanoate
 linalyl isovalerate
 linalyl valerate
 melon valerate
 methyl (E)-2-hexenoate
 methyl (E)-3-nonenoate
 methyl (E)-3-nonenoate
 methyl 2-hexenoate
 methyl 2-undecynoate
 methyl 4-pentenoate
2-methyl butyl 2-methyl butyrate
(E)-methyl geranate
 methyl heptanoate
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
 musk nonane
 nerolidyl isobutyrate
(E,E)-3,5-octadien-2-one
 octen-1-yl cyclopentanone
 octyl 2-methyl butyrate
 octyl butyrate
 papaya isobutyrate
 peach cyclopentanone
 peach nitrile
 peach pivalate
(E)-2-penten-1-al
2-pentyl furan
 petal pyranone
 phenethyl heptanoate
 phenethyl isobutyrate
 phenethyl isovalerate
 phenoxyethyl isobutyrate
1-phenyl propyl butyrate
2-phenyl propyl butyrate
3-phenyl propyl cinnamate
4-phenyl-2-butyl acetate
 pineapple pentenoate
 plum crotonate
 prenol
 prenyl ethyl ether
 prenyl hexanoate
isopropyl 2-methyl butyrate
 propyl butyrate
alpha-isopropyl phenyl acetaldehyde
 propyl phenyl acetate
 propylene acetal
 rhubarb undecane
 sorbyl isobutyrate
 tetrahydrofurfuryl butyrate
 thiogeraniol
 tiglaldehyde
 timber dioxolane
 tricyclodecyl acetate
(E,Z,Z)-2,4,7-tridecatrien-1-al
 tropical indene
 tropical thiazole
delta-undecalactone
gamma-undecalactone
isovaleraldehyde
 violet dienyne
 woody acetate

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

natural occurrence in :
not found in nature



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