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Succinylacetone

Succinylacetone structure

CAS No:
51568-18-4
Formula:
C7H10O4
Chemical Name:
Succinylacetone
Synonyms:
Heptanoic acid,4,6-dioxo-;4,6-Dioxoheptanoic acid;Succinylacetone;NSC 174804
Categories:
Analytical Chemistry > Food Safety

Description

4,6-Dioxoheptanoic acid is a potent inhibitor of heme biosynthesis.

Solid

4,6-dioxoheptanoic acid is a dioxo monocarboxylic acid that is heptanoic acid in which oxo groups replace the hydrogens at positions 4 and 6. It is an abnormal metabolite of the tyrosine metabolic pathway and a marker for type 1 tyrosinaemia. It has a role as a human metabolite. It is a beta-diketone and a dioxo monocarboxylic acid.

Succinylacetone Basic Attributes

Molecular Weight：

158.15

Exact Mass：

158.15

UNII：

KZ0KV2Q190

NSC Number：

174804

DSSTox ID：

DTXSID50199519

HScode：

2918300090

Characteristics

PSA：

71.4

XLogP3：

-0.8

Appearance：

powder

Density：

1.189 g/cm3

Melting Point：

66-67 °C(lit.)

Boiling Point：

318.7°C at 760 mmHg

Flash Point：

160.8ºC

Refractive Index：

1.455

Water Solubility：

2.579e+005 mg/L @ 25 °C (est)

Storage Conditions：

2-8°C

Collision Cross Section：

131.44 Å² [M-H]- [CCS Type: DT, Method: stepped-field]

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH：

Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. (See all compounds classified as Enzyme Inhibitors.)

MeSH Entry Terms：

4,6-dioxoheptanoic acid

Succinylacetone Use and Manufacturing

Succinylacetone (SA) is a specific marker for the inherited metabolic disease, hepatorenal tyrosinemia. It was developed a stable-isotopequid urine using a 13C4-SA as internal standard.

Computed Properties

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
Complexity:183
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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4,6-Dioxoheptanoic acid

CAS No.: 51568-18-4

Content: 99.00%

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