97-65-4

Name Itaconic acid
CAS 97-65-4
EINECS(EC#) 202-599-6
Molecular Formula C5H6O4
MDL Number MFCD00004260
Molecular Weight 130.1
MOL File 97-65-4.mol
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Chemical Properties

Appearance white to light beige crystalline powder
Melting point  165-168 °C (lit.)
Boiling point  268°C
density  1.573 g/mL at 25 °C(lit.)
vapor pressure  0.0000115 Pa (20 °C)
refractive index  1.4980 (estimate)
Fp  268°C
storage temp.  Store below +30°C.
solubility  77.49g/l
form  Crystalline Powder or Crystals
pka 3.85(at 25℃)
color  White to light beige
Specific Gravity 1.573
Odor Characteristic Odor
PH 2 (10g/l, H2O, 20℃)
Water Solubility  Soluble in water, acetone, methanol, hexane and ethanol. Slightly soluble in benzene, chloroform, carbon disulfide and petroleum ether.
Sensitive  Hygroscopic
Merck  14,5242
BRN  1759501
Henry's Law Constant 1.3×106 mol/(m3Pa) at 25℃, Yaws (2003)
Stability: Light Sensitive
Cosmetics Ingredients Functions BUFFERING
ANTIMICROBIAL
SKIN CONDITIONING - EMOLLIENT
SKIN CONDITIONING
InChI 1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9)
InChIKey LVHBHZANLOWSRM-UHFFFAOYSA-N
SMILES OC(=O)CC(=C)C(O)=O
LogP -0.301 at 20℃
Uses
Copolymerizations, resins, plasticizers, lube-oil additive, intermediate.
CAS DataBase Reference 97-65-4(CAS DataBase Reference)
NIST Chemistry Reference Butanedioic acid, methylene-(97-65-4)
EPA Substance Registry System 97-65-4(EPA Substance)
CAS Number Unlabeled 97-65-4
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Safety Data

Symbol(GHS)  Corrosion (GHS05)
GHS05
Signal word  Danger
Hazard statements  H318
Precautionary statements  P280-P305+P351+P338+P310
Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
WGK Germany  1
Autoignition Temperature 430 °C
TSCA  Yes
REACH Registrations Active
HS Code  29171990
Storage Class 13 - Non Combustible Solids
Hazard Classifications Eye Dam. 1
Hazardous Substances Data 97-65-4(Hazardous Substances Data)
Toxicity
LD50 orally in Rabbit: > 2000 mg/kg

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Hazard Information

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