Methylsuccinic acid

Description

Methylsuccinic acid · CAS 498-21-5 · C5H8O4. UNII H1547KG7UZ. Melting Point: 232 to 234 °F (NTP, 1992); Vapor Pressure: 0.00105 [mmHg]; Collision Cross Section: 123.9 Ų [M-H]-.

Identification

CAS Registry Number	498-21-5
PubChem CID	10349
Molecular formula	C5H8O4
IUPAC name	2-methylbutanedioic acid
UNII (FDA)	H1547KG7UZ

Computed Descriptors

Molecular Weight	132.11
XLogP3	-0.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	132.04225873
Monoisotopic Mass	132.04225873
Topological Polar Surface Area	74.6
Heavy Atom Count	9
Formal Charge	0

Physical & Chemical Properties

Melting Point	232 to 234 °F (NTP, 1992)
Vapor Pressure	0.00105 [mmHg]
Collision Cross Section	123.9 Ų [M-H]-

Physical description & handling notes

• Methyl succinic acid appears as white or yellowish crystals or beige powder. (NTP, 1992)
• White, yellowish, or beige solid; [CAMEO] Beige crystalline solid; [Sigma-Aldrich MSDS]
• Decomposes (NTP, 1992)
• greater than or equal to 100 mg/mL at 72 °F (NTP, 1992)
• 1.4105 (NTP, 1992) - Denser than water; will sink
• 124.3 Ų [M-H]- [CCS Type: DT; Method: stepped-field]

GHS Hazard Classification

Reported hazard statements	H315 (100%), H319 (100%), H335 (97.6%)

Documented Uses

• Used in organic synthesis; [NTP]
• Butanedioic acid, 2-methyl-: ACTIVE

Synonyms

2-Methylsuccinic acid; METHYLSUCCINIC ACID; 498-21-5; 2-Methylbutanedioic acid; Pyrotartaric acid; Butanedioic acid, methyl-; 1,2-Propanedicarboxylic acid; Succinic acid, methyl-; 2-methyl-butanedioic acid; Methylbutanedioic acid; Butanedioic acid, 2-methyl-; H1547KG7UZ; CHEBI:91315; NSC-5276; Methyl succinic acid; J6.105K

Frequently Asked Questions

What are the CAS number and molecular formula of Methylsuccinic acid?

CAS 498-21-5; molecular formula C5H8O4; molecular weight — g/mol.

What other names is Methylsuccinic acid known by?

2-Methylsuccinic acid, METHYLSUCCINIC ACID, 498-21-5, 2-Methylbutanedioic acid, Pyrotartaric acid, Butanedioic acid, methyl-.

Is Methylsuccinic acid classified as hazardous?

Hazard statements reported: H315, H319, H335.

What are the key physical properties of Methylsuccinic acid?

Melting Point: 232 to 234 °F (NTP, 1992); Vapor Pressure: 0.00105 [mmHg]; Collision Cross Section: 123.9 Ų [M-H]-.

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.