propyl angelate
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IUPAC name :propyl (Z)-2-methylbut-2-enoate
InChI :InChI=1/C8H14O2/c1-4-6-10-8(9)7(3)5-2/h5H,4,6H2,1-3H3/b7-5-
InChIKey :RZWMDOQSXWAAMC-ALCCZGGFBX
SMILES :CCCOC(=O)/C(=C\C)/C
cas number :53082-57-8
(EINECS) number :258-349-1
molar refractivity :40.78 ± 0.3 cm3
parachor :358.5 ± 4.0 cm3
index of refraction :1.431 ± 0.02
surface tension :26.8 ± 3.0 dyne/cm
density :0.902 ± 0.06 g/cm3
polarizability :16.16 ± 0.5 10-24cm3
XlogP : 2.20
molecular weight : 142.1955600 (IUPAC)
formula :C8 H14 O2
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
organoleptics :
odor description:
wine fruity rose
properties :
Food Chemicals Codex Listed :No
flash point :not determined
safety :
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
 
safety references :
EPI System :view
 
 
 
 
propyl (Z)-2-methylbut-2-enoate
(EINECS) number :258-349-1
chemidplus :053082578
EPA Substance Registry Services :53082-57-8
references :
 
propyl (Z)-2-methylbut-2-enoate
NIST Chemistry WebBook :53082578
pubchem :681821
other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
(Z)-2-methyl-2-butenoic acid propyl ester
 propyl (Z)-2-methylbut-2-enoate
 propyl 2-methyl isocrotonate
N-propyl angelate
soluble in :
 alcohol
insoluble in :
 water
natural occurrence in :
data pagechamomile flower oil roman @ 1.04% S



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