1694-31-1

Name tert-Butyl acetoacetate
CAS 1694-31-1
EINECS(EC#) 216-904-5
Molecular Formula C8H14O3
MDL Number MFCD00008811
Molecular Weight 158.19
MOL File 1694-31-1.mol
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Chemical Properties

Appearance liquid
Melting point  -38 °C (lit.)
Boiling point  71-72 °C/11 mmHg (lit.)
density  0.954 g/mL at 25 °C(lit.)
vapor pressure  79.32Pa at 25℃
refractive index  n20/D 1.419
Fp  150 °F
storage temp.  -20°C
solubility  9g/l
form  Liquid
pka 10.71±0.46(Predicted)
color  clear
PH 5.7 (9g/l, H2O, 20℃)
biological source rabbit
explosive limit 1.1%(V)
Water Solubility  Soluble in water (9g/L).
Usage Intermediate for the syntheses of different organic chemicals. Product Data Sheet
BRN  1680303
InChI 1S/C8H14O3/c1-6(9)5-7(10)11-8(2,3)4/h5H2,1-4H3
InChIKey JKUYRAMKJLMYLO-UHFFFAOYSA-N
SMILES CC(=O)CC(=O)OC(C)(C)C
LogP 0.67-1.41 at 20℃
CAS DataBase Reference 1694-31-1(CAS DataBase Reference)
NIST Chemistry Reference Butanoic acid, 3-oxo-, 1,1-dimethylethyl ester(1694-31-1)
EPA Substance Registry System 1694-31-1(EPA Substance)
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Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H227
Precautionary statements  P210e-P280a-P370+P378a-P501a-P210-P280-P370+P378-P403+P235-P501
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S24/25:Avoid contact with skin and eyes .
RIDADR  3272
WGK Germany  1
TSCA  Yes
REACH Registrations Active
HazardClass  3.2
PackingGroup  III
HS Code  29183000
Storage Class 10 - Combustible liquids

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Hazard Information

Material Safety Data Sheet(MSDS)

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