ChemicalBook--->CAS DataBase List--->97-65-4

97-65-4

97-65-4 Structure

97-65-4 Structure
IdentificationMore
[Name]

Itaconic acid
[CAS]

97-65-4
[Synonyms]

2-PROPENE-1,2-DICARBOXYLIC ACID
3-CARBOXY-3-BUTENOIC ACID
ITACONIC ACID
METHYLENESUCCINIC ACID
PROPYLENEDICARBOXYLIC ACID
methylene-butanedioicaci
methylene-succinicaci
Succinic acid, methylene-
itaconic acide
ITACONIC ACID, 99+%
ITACONIC ACID CRYSTALLINE 99+%
ItaconicAcidForSynthesis
ItaconicAcid99%Min
Itaconic Acid 99%Min, Cas
Butanedioic acid, methylene-
2-methylidenebutanedioic acid
Itaconsure
Methylenebutanedioic acid
Prop-2-ene-1,2-dicarbonic acid
ITACONIC ACID pure
[EINECS(EC#)]

202-599-6
[Molecular Formula]

C5H6O4
[MDL Number]

MFCD00004260
[Molecular Weight]

130.1
[MOL File]

97-65-4.mol
Chemical PropertiesBack Directory
[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
Safety DataBack Directory
[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
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Maleic anhydride-->Starch-->Succinic anhydride-->THORIUM-->Citraconic acid-->ACONITIC ACID, trans-(RG)-->ANTIOXIDANT 765
[Preparation Products]

1-(2-Aminoethyl)-4-benzylpiperazine-->Dimethyl itaconate-->Itaconic anhydride-->3-Hydroxyglutaric Acid-->propene-->Methacrylic acid-->Dimethyl (R)-(+)-methylsuccinate-->Itaconic acid mono-n-butyl ester-->(R)-(+)-Methylsuccinic acid-->3-Methyltetrahydrofuran-->Itaconic acid monomethyl ester
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Methylenebutanedioic acid(97-65-4).msds
Questions And AnswerBack Directory
[Discovery]

Itaconic acid was discovered by Baup in 1837 as a product of the pyrolytic distillation of citric acid. The name itaconic was devised as an anagram of aconitic. Itaconic acid is formed in the fermentation of some sugars. In 1929, Kinoshita first showed the acid as a metabolic product of Aspergillus itaconicus.
[Source]

Itaconic acid is formed by the cytosolic enzyme aconitate decarboxylase from cis-aconitic acid. Another biosynthetic pathway from pyruvate through citramalic acid, citraconic acid, and itartaric acid also results in itaconic acid.
Hazard InformationBack Directory
[Chemical Properties]

white to light beige crystalline powder
[Definition]

ChEBI: A dicarboxylic acid that is methacrylic acid in which one of the methyl hydrogens is substituted by a carboxylic acid group.
[Definition]

itaconic acid: A product of the fermentationof the flamentous fungusAspergillus niger. Itaconic acid is usedcommercially in the production ofadhesives and paints.
[General Description]

Itaconic acid, an unsaturated dicarbonic organic acid, is a metabolic product of Aspergillus itaconicus.
[Flammability and Explosibility]

Nonflammable
[Purification Methods]

Crystallise itaconic acid from EtOH, EtOH/water or EtOH/*benzene. [Beilstein 2 IV 2228.]
Spectrum DetailBack Directory
[Spectrum Detail]

Itaconic acid(97-65-4)MS
Itaconic acid(97-65-4)1HNMR
Itaconic acid(97-65-4)13CNMR
Itaconic acid(97-65-4)IR1
Itaconic acid(97-65-4)IR2
Itaconic acid(97-65-4)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Itaconic acid, 99+%(97-65-4)
[Alfa Aesar]

Itaconic acid, 99%(97-65-4)
[Sigma Aldrich]

97-65-4(sigmaaldrich)
[TCI AMERICA]

Itaconic Acid,>99.0%(T)(97-65-4)
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