allyl 10-undecenoate
 
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IUPAC name :prop-2-enyl undec-10-enoate
InChI :InChI=1/C14H24O2/c1-3-5-6-7-8-9-10-11-12-14(15)16-13-4-2/h3-4H,1-2,5-13H2
InChIKey :VJOZUTGJXVDWDJ-UHFFFAOYAX
SMILES :C=CCCCCCCCCC(=O)OCC=C
(EINECS) number :231-337-3
cas number :7493-76-7
fema number :2044
coe number :441
jecfa number :9
fl. number :09.146
molar refractivity :68.13 ± 0.3 cm3
parachor :591.8 ± 4.0 cm3
index of refraction :1.450 ± 0.02
surface tension :29.8 ± 3.0 dyne/cm
density :0.885 ± 0.06 g/cm3
polarizability :27.01 ± 0.5 10-24cm3
xlogp : 5.30
molecular weight : 224.3391600
formula :C14 H24 O2
BioActivity Analysis :109688
 
 
fda reg :172.515 h. number :unspecified
organoleptics : 
odor type :fruity
odor strength :medium
odor description :
at 100.00 %.  
fruity pineapple waxy
properties : 
appearence :colorless clear liquid
assay : 96.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.01200 - 1.02000 @ 25.00 °C.
pounds per gallon - calc. : 8.421 to 8.487
refractive index :1.46000 - 1.46400 @ 20.00 °C.
refractive index :1.44480 @ 30.00 °C.
boiling point : 180.00 °C. @ 30.00 mm Hg
boiling point : 114.00 - 118.00 °C. @ 1.00 mm Hg
logp : 5.27
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 200.00  °F.  TCC  ( 93.33 °C. )
  
IFRA purity specification :< 0.1% free allyl alcohol
recommendation for allyl 10-undecenoate usage levels up to :
  0.5000 % in the fragrance concentrate.
  
recommendation for allyl 10-undecenoate usage levels up to :
  1.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :231-337-3
chemidplus :007493767
epa-srs :7493-76-7
dtp/nci :62647
  
other : 
 
references : 
pubchem :197669
NIST Chemistry WebBook :1377235488
  
synonyms :
 allyl 10-undecenoate
 allyl undec-10-enoate
 allyl undecylenate
2-propen-1-yl 10-undecenoate
2-propenyl 10-undecenoate
10-undecenoic acid 2-propenyl ester
10-undecenoic acid allyl ester
soluble in :
 alcohol
 organic solvents
insoluble in :
 water
(odor and/or flavor) used in :
 aldehydic
 apple
 cherry
 fruit
 orange
 passion fruit
 pineapple
natural occurrence in :
not found in nature



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