4,6-二氧庚酸

Description

4,6-dioxoheptanoic acid · CAS 51568-18-4 · C7H10O4. UNII KZ0KV2Q190. Melting Point: 66 - 67 °C.

Identification

CAS Registry Number	51568-18-4
PubChem CID	5312
Molecular formula	C7H10O4
IUPAC name	4,6-dioxoheptanoic acid
UNII (FDA)	KZ0KV2Q190

Computed Descriptors

Molecular Weight	158.15
XLogP3	-0.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	158.05790880
Monoisotopic Mass	158.05790880
Topological Polar Surface Area	71.4
Heavy Atom Count	11
Formal Charge	0

Physical & Chemical Properties

Melting Point	66 - 67 °C

Physical description & handling notes

• Solid
• 131.44 Ų [M-H]- [CCS Type: DT; Method: stepped-field]

GHS Hazard Classification

Reported hazard statements	H315 (100%), H319 (100%), H335 (97.4%)

Documented Uses

• This is an endogenously produced metabolite found in the human body. It is used in metabolic reactions, catabolic reactions or waste generation.
• Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.

Synonyms

4,6-DIOXOHEPTANOIC ACID; Succinylacetone; 51568-18-4; Heptanoic acid, 4,6-dioxo-; KZ0KV2Q190; NSC-174804; DTXSID50199519; CHEBI:87897; RefChem:186374; DTXCID60122010; 624-726-8; NSC 174804; MFCD00002797; 4,6-Dioxoheptanoate; SpecPlus_000704; Spectrum3_000763

Frequently Asked Questions

What are the CAS number and molecular formula of 4,6-dioxoheptanoic acid?

CAS 51568-18-4; molecular formula C7H10O4; molecular weight — g/mol.

What other names is 4,6-dioxoheptanoic acid known by?

4,6-DIOXOHEPTANOIC ACID, Succinylacetone, 51568-18-4, Heptanoic acid, 4,6-dioxo-, KZ0KV2Q190, NSC-174804.

Is 4,6-dioxoheptanoic acid classified as hazardous?

Hazard statements reported: H315, H319, H335.

What are the key physical properties of 4,6-dioxoheptanoic acid?

Melting Point: 66 - 67 °C.

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.