542-05-2

Name 1,3-Acetonedicarboxylic acid
CAS 542-05-2
EINECS(EC#) 208-797-9
Molecular Formula C5H6O5
MDL Number MFCD00002711
Molecular Weight 146.1
MOL File 542-05-2.mol
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Chemical Properties

Appearance white to off-white powder
Melting point  133 °C (dec.) (lit.)
Boiling point  185.67°C (rough estimate)
bulk density 400kg/m3
density  1.2821 (rough estimate)
vapor pressure  0.005Pa at 25℃
refractive index  1.3920 (estimate)
storage temp.  2-8°C
solubility  DMSO (Slightly, Heated), Methanol (Slightly)
form  Crystalline Powder
pka pK (25°) 3.10
color  White
Water Solubility  soluble
Sensitive  Hygroscopic
Merck  14,68
BRN  1447081
Stability: Unstable in Solution
InChI 1S/C5H6O5/c6-3(1-4(7)8)2-5(9)10/h1-2H2,(H,7,8)(H,9,10)/p-2
InChIKey OXTNCQMOKLOUAM-UHFFFAOYSA-N
SMILES [O-]C(=O)CC(=O)CC(=O)[O-]
LogP -0.5 at 30℃
CAS DataBase Reference 542-05-2(CAS DataBase Reference)
Storage Precautions Store under nitrogen
EPA Substance Registry System 542-05-2(EPA Substance)
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Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Hazard Codes  Xi
Risk Statements 
R44:Risk of explosion if heated under confinement.
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
WGK Germany  3
F  3
TSCA  Yes
REACH Registrations Active
HS Code  29183000
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2

Raw materials And Preparation Products

Hazard Information

Material Safety Data Sheet(MSDS)

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