allyl levulinate
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IUPAC name :prop-2-enyl 4-oxopentanoate
InChI :InChI=1/C8H12O3/c1-3-6-11-8(10)5-4-7(2)9/h3H,1,4-6H2,2H3
InChIKey :NETFSRNRGBJVMU-UHFFFAOYAS
SMILES :CC(=O)CCC(=O)OCC=C
cas number :1070-35-5
molar refractivity :40.64 ± 0.3 cm3
parachor :369.2 ± 4.0 cm3
index of refraction :1.433 ± 0.02
surface tension :31.1 ± 3.0 dyne/cm
density :0.999 ± 0.06 g/cm3
polarizability :16.11 ± 0.5 10-24cm3
XlogP : 0.50
XlogP3-AA : 0.30
molecular weight : 156.1790800 (IUPAC)
formula :C8 H12 O3
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Inoue :ALLYL LEVULINATE
Nanjing :4-oxo-pentanoic acid 2-allyl ester
orders in chinese.

organoleptics :

properties :
appearence :colorless to pale yellow clear liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 224.00 to 226.00 °C. @ 760.00 mm Hg
flash point : 196.00  °F.  TCC  ( 91.11 °C. )
logP (o/w) : 0.69

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

safety in use :
Category :flavoring agents
 
IFRA purity specification :< 0.1% free allyl alcohol
recommendation for allyl levulinate fragrance usage levels up to :
 not for fragrance use.

safety references :
EPI System :view
 
 
 
 
prop-2-enyl 4-oxopentanoate
chemidplus :1070-35-5
EPA Substance Registry Services :1070-35-5

references :
 
prop-2-enyl 4-oxopentanoate
NIST Chemistry WebBook :873514557
pubchem :1070-35-5

other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
 allyl 4-oxopentanoate
 prop-2-enyl 4-oxopentanoate

Similar Products:    note
isoamyl levulinate
 benzyl levulinate
 butyl levulinate
 ethyl levulinate
(Z)-3-hexen-1-yl levulinate
 methyl levulinate
 propyl levulinate
isopropyl levulinate

soluble in :
 alcohol

insoluble in :
 water

natural occurrence in :    note
data pagechenopodium oil (chenopodium ambrosioldes var. ambrosioldes) spain @ 0.04% S

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