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Docosanedioic acid

Docosanedioic acid structure

CAS No:
505-56-6
Formula:
C22H42O4
Chemical Name:
Docosanedioic acid
Synonyms:
Docosanedioic acid;1,20-Eicosanedicarboxylic acid;Phellogenic acid;Felogenic acid;1,22-Docosanedioic acid;NSC 56159;Docosan-1,22-dioic acid
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

white fine crystalline powder

Docosanedioic acid is an alpha,omega-dicarboxylic acid that is docosane in which the methyl groups have been oxidised to the corresponding carboxylic acids. It has a role as a metabolite. It is an alpha,omega-dicarboxylic acid and a lipid. It is a conjugate acid of a docosanedioate(2-). It derives from a hydride of a docosane.

Docosanedioic acid Basic Attributes

Molecular Weight：

370.57

Exact Mass：

370.57

EC Number：

204-010-8

UNII：

FR7J081T20

NSC Number：

56159

DSSTox ID：

DTXSID20198519

HScode：

2917190090

Characteristics

PSA：

74.6

XLogP3：

8.6

Density：

1.0±0.1 g/cm3

Melting Point：

120-122 °C

Boiling Point：

176-177 °C @ Press: 3 Torr

Flash Point：

286.6±19.1 °C

Refractive Index：

1.474

Storage Conditions：

2-8°C

Safety Information

Transport codes：

UN 1824

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 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Docosanedioic acid Use and Manufacturing

Use Classification：

Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Dicarboxylic acids [FA0117]

Computed Properties

Molecular Weight:370.6
XLogP3:8.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:21
Exact Mass:370.30830982
Monoisotopic Mass:370.30830982
Topological Polar Surface Area:74.6
Heavy Atom Count:26
Complexity:296
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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