2-acetoxypropanoic acid
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IUPAC name :2-acetyloxypropanoic acid
InChI :InChI=1/C5H8O4/c1-3(5(7)8)9-4(2)6/h3H,1-2H3,(H,7,8)
InChIKey :WTLNOANVTIKPEE-UHFFFAOYAO
SMILES :CC(C(=O)O)OC(=O)C
cas number :535-17-1
molar refractivity :28.51 ± 0.3 cm3
parachor :274.9 ± 4.0 cm3
index of refraction :1.433 ± 0.02
surface tension :39.6 ± 3.0 dyne/cm
density :1.205 ± 0.06 g/cm3
polarizability :11.30 ± 0.5 10-24cm3
XlogP : 0.10
XlogP3-AA : 0.10
molecular weight : 132.1146200 (IUPAC)
formula :C5 H8 O4
BioActivity Analysis :472910
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Nanjing :2-acetoxypropanoic acid
organoleptics :
properties :
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 225.00 to 227.00 °C. @ 760.00 mm Hg
flash point : 203.00  °F.  TCC  ( 95.00 °C. )
logP (o/w) : 0.16
safety :
most important hazard(s) :Xi - Irritant
  R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
 
recommendation for 2-acetoxypropanoic acid usage levels up to :
 not for fragrance use.
recommendation for 2-acetoxypropanoic acid usage levels up to :
 not for flavor use.
safety references :
EPI System :view
Cancer Citations :Search
Toxicology Citations :Search
 
WGK Germany :3
 
 
 
 2-acetyloxypropanoic acid
chemidplus :000535171
EPA Substance Registry Services :535-17-1
dtp/nci :402126
references :
 2-acetyloxypropanoic acid
NIST Chemistry WebBook :3140332122
pubchem :656056
other :
synonyms :
alpha-acetol acetate
2-acetoxypropionic acid
alpha-acetoxypropionic acid
 acetyl lactic acid
ortho-acetyl lactic acid
2-acetyloxypropanoic acid
natural occurrence in :
not found in nature



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