isoamyl undecylenate
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IUPAC name :3-methylbutyl (E)-undec-6-enoate
InChI :InChI=1/C16H30O2/c1-4-5-6-7-8-9-10-11-12-16(17)18-14-13-15(2)3/h7-8,15H,4-6,9-14H2,1-3H3/b8-7+
InChIKey :YAPZGQNSTVDGJX-BQYQJAHWBZ
SMILES :CCCC\C=C\CCCCC(=O)OCCC(C)C
cas number :12262-03-2
(EINECS) number :235-514-6
molar refractivity :77.96 ± 0.3 cm3
parachor :678.0 ± 4.0 cm3
index of refraction :1.450 ± 0.02
surface tension :29.8 ± 3.0 dyne/cm
density :0.876 ± 0.06 g/cm3
polarizability :30.90 ± 0.5 10-24cm3
XlogP : 6.40
XlogP3-AA : 5.50
molecular weight : 254.4082000 (IUPAC)
formula :C16 H30 O2
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Inoue :isoAMYL UNDECENOATE
Nanjing :undecenoic acid 3-methylbutyl ester
orders in chinese.
Penta :isoamyl undecylenate
organoleptics :
odor type :floral
odor strength :medium
odor description:
at 100.00 %.  		floral rose waxy
properties :
appearence :colorless clear liquid
assay : 94.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.87300 @ 25.00 °C.
boiling point : 160.00 °C. @ 3.00 mm Hg
flash point : 192.00  °F.  TCC  ( 88.89 °C. )
logP (o/w) : 6.45
safety :
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
 
recommendation for isoamyl undecylenate fragrance usage levels up to :
  5.0000 % in the fragrance concentrate.
safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
 
 
 
3-methylbutyl (E)-undec-6-enoate
(EINECS) number :235-514-6
chemidplus :012262032
EPA Substance Registry Services :12262-03-2
references :
 
3-methylbutyl (E)-undec-6-enoate
pubchem :691499
other :
synonyms :
3-methyl butyl (E)-undec-6-enoate
3-methylbutyl (E)-undec-6-enoate
isopentyl undecenoate
 undecenoic acid 3-methyl butyl ester
Similar Products:    note
 allyl undecylenate
 amyl undecylenate
 butyl undecylenate
isobutyl undecylenate
para-cresyl 10-undecylenate
 ethyl undecylenate
 geranyl undecylenate
 heptyl undecylenate
 methyl undecylenate
isopropyl undecylenate
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
para-anisyl alcoholFL/FR
 benzyl alcoholFL/FR
 butyl benzyl etherFL/FR
 citronellalFL/FR
 citronellyl nitrileFR
 citronellyl oxyacetaldehydeFL/FR
 citronellyl propionateFL/FR
 cyclohexyl ethyl alcoholFL/FR
(E)-alpha-damasconeFL/FR
(Z)-alpha-damasconeFL/FR
gamma-damasconeFR
isodecanalFL/FR
9-decen-1-alFL/FR
(Z)-4-decen-1-yl acetateFL/FR
 dihydrocarvyl acetateFL/FR
 ethyl laurateFL/FR
(E)-ethyl tiglateFL/FR
 farnesyl acetateFL/FR
 floral pyranFR
 geranium rose-scented oil (pelargonium spp.) cubaFR
 geranyl acetateFL/FR
(E)-geranyl linaloolFL/FR
 globulol 
 hawthorn ethanolFR
 heptyl formateFL/FR
2-heptyl tetrahydrofuranFR
 hexadecanolFL/FR
(Z)-3-hexen-1-yl phenyl acetateFL/FR
 hexyl 2-furoateFL/FR
 mandarine undecenalFL/FR
 methyl 10-undecenalFL/FR
 methyl citronellateFL/FR
 methyl heptanoateFL/FR
2-methyl octanalFL/FR
 musk acetateFR
(Z)-nerolidol 
 neryl acetateFL/FR
 neryl isovalerateFL/FR
 nonanal diethyl acetalFL/FR
 nonanolFL/FR
3-nonanon-1-yl acetateFL/FR
 phenethyl acetateFL/FR
 phenethyl anthranilateFL/FR
 phenethyl hexanoateFL/FR
 phenethyl phenyl acetateFL/FR
 phenethyl salicylateFL/FR
 phenyl acetaldehydeFL/FR
 phenyl acetaldehyde digeranyl acetalFR
 phenyl acetic acidFL/FR
 rose acetateFR
laevo-rose oxideFL/FR
 strawberry glycidate 2FL/FR
 styralyl propionateFL/FR
(Z)-8-undecen-1-alFR
(E)-2-undecen-1-olFL/FR
10-undecen-1-olFL/FR
2-undecen-1-olFL/FR
 waxy aldehydeFR
potential uses :
 mimosa wattle
 modifier
 rose
natural occurrence in :    note
 not found in nature  

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