衣康酸

Description

Itaconic Acid · CAS 97-65-4 · C5H6O4. UNII Q4516562YH. Boiling Point: 268 °C, SUBLIMES; Melting Point: 175 °C; Solubility: 76.8 mg/mL at 20 °C.

Identification

CAS Registry Number	97-65-4
PubChem CID	811
Molecular formula	C5H6O4
IUPAC name	2-methylidenebutanedioic acid
UNII (FDA)	Q4516562YH

Computed Descriptors

Molecular Weight	130.10
XLogP3	-0.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	130.02660867
Monoisotopic Mass	130.02660867
Topological Polar Surface Area	74.6
Heavy Atom Count	9
Formal Charge	0

Physical & Chemical Properties

Boiling Point	268 °C, SUBLIMES
Melting Point	175 °C
Solubility	76.8 mg/mL at 20 °C
Density	1.632
Collision Cross Section	131.9 Ų [M+Na]+
Collision Cross Section	119.1 Ų [M-H]-

Physical description & handling notes

• Liquid; Large Crystals; Dry Powder; Other Solid
• Hygroscopic solid; [Merck Index] White crystalline powder; [MSDSonline]
• Solid
• RHOMBIC CRYSTALS FROM BENZENE
• WHITE CRYSTALS
• CHARACTERISTIC ODOR

Regulatory Status

Regulatory & Food Contact	FDA Cumulative Estimated Daily Intake (CEDI): FCS FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS POLYITACONIC ACID
GHS notification summary	5.9% (33 / 555)

GHS Hazard Classification

GHS notification summary	5.9% (33 / 555)
Reported hazard statements	H315 (14.8%), H318 (77.7%), H319 (14.1%), H335 (16%), H402

Documented Uses

• Used in copolymerization and to make resins, plasticizers, and lube oil additives; [HSDB] Used as a comonomer in the production of acrylic fibers and latex; [eChemPortal: SIDSUNEP]
• COPOLYMERIZATIONS; RESINS; PLASTICIZERS; LUBE OIL ADDITIVES; INTERMEDIATE
• Not Known or Reasonably Ascertainable
• Information on 1 consumer products that contain Methylenesuccinic acid in the following categories is provided:
• OBTAINED BY DRY DISTILLATION OF CITRIC ACID AND SUBSEQUENT TREATMENT OF THE ANHYDRIDE WITH WATER. PRODUCED ON A LARGE SCALE BY SUBMERGED AEROBIC FERMENTATION USING ASPERGILLUS TERREUS AND LOW COST CARBOHYDRATES FROM BEET OR CANE: KANE ET AL, US PATENT 2,385,283 (1945 TO PFIZER).
• SYNTHESIS FROM PROPARGYL CHLORIDE, CARBON MONOXIDE, NICKEL CARBONYL & WATER: CHIUSOLI, US PATENT 3,025,320 (1962 TO MONTECATINI).

Synonyms

Itaconic acid; 97-65-4; 2-Methylenesuccinic acid; 2-methylidenebutanedioic acid; METHYLENESUCCINIC ACID; Methylenebutanedioic acid; Propylenedicarboxylic acid; itaconate; Butanedioic acid, methylene-; 2-Propene-1,2-dicarboxylic acid; Succinic acid, methylene-; 2-methylenebutanedioic acid; DTXSID2026608; NSC-3357; Q4516562YH; DTXCID006608

Frequently Asked Questions

What are the CAS number and molecular formula of Itaconic Acid?

CAS 97-65-4; molecular formula C5H6O4; molecular weight — g/mol.

What other names is Itaconic Acid known by?

Itaconic acid, 97-65-4, 2-Methylenesuccinic acid, 2-methylidenebutanedioic acid, METHYLENESUCCINIC ACID, Methylenebutanedioic acid.

What is the regulatory status of Itaconic Acid?

Documented regulatory listings: FDA Cumulative Estimated Daily Intake (CEDI): FCS; FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS; POLYITACONIC ACID.

Is Itaconic Acid classified as hazardous?

5.9% of GHS notifications report no hazard classification (33 of 555).

What are the key physical properties of Itaconic Acid?

Boiling Point: 268 °C, SUBLIMES; Melting Point: 175 °C; Solubility: 76.8 mg/mL at 20 °C; Density: 1.632.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.