Itaconic acid Structure

Itaconic acid

Chemical Properties

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)
Flash point 268°C
storage temp.  Store below +30°C.
solubility  77.49g/l
pka 3.85(at 25℃)
form  Crystalline Powder or Crystals
Specific Gravity 1.573
color  White to light beige
PH 3.5(1 mM solution);2.95(10 mM solution);2.43(100 mM solution);
Odor Characteristic Odor
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℃
Indirect Additives used in Food Contact Substances ITACONIC ACID
FDA 21 CFR 175.105(Adhesives); 175.320(Resinous and polymeric coatings for polyolefin films); 176.170(Components of paper and paperboard in contact with aqueous and fatty foods);
176.180(Components of paper and paperboard in contact with dry food); 177.1010(Acrylic and modified acrylic plastics, semirigid and rigid); 177.1200(Cellophane);
177.1630(Polyethylene phthalate polymers)
CAS DataBase Reference 97-65-4(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII Q4516562YH
NIST Chemistry Reference Butanedioic acid, methylene-(97-65-4)
EPA Substance Registry System Itaconic acid (97-65-4)
UNSPSC Code 85151701
NACRES NA.24
CAS Number Unlabeled 97-65-4

Safety

Symbol(GHS) Corrosion (GHS05)
Signal wordDanger
Hazard statements H318
Precautionary statements P280-P305+P351+P338+P310
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36
WGK Germany  1
Autoignition Temperature 430 °C
TSCA  TSCA listed
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
NFPA 704:
0
2 0

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