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Suberic acid

Suberic acid structure

CAS No:
505-48-6
Formula:
C8H14O4
Chemical Name:
Suberic acid
Synonyms:
Octanedioic acid;Suberic acid;Hexamethylenedicarboxylic acid;1,6-Hexanedicarboxylic acid;1,8-Octanedioic acid;1,6-Dicarboxyhexane;Cork acid;NSC 25952;NSC 53777
Categories:
Pharmaceutical Intermediates > Antineoplastics

Description

Octanedioic acid is found to be associated with carnitine-acylcarnitine translocase deficiency, malonyl-Coa decarboxylase deficiency.

OtherSolid|Solid

Suberic acid is an alpha,omega-dicarboxylic acid that is the 1,6-dicarboxy derivative of hexane. It has a role as a human metabolite. It is an alpha,omega-dicarboxylic acid and a lipid. It is a conjugate acid of a suberate(2-) and a suberate.

Suberic acid Basic Attributes

Molecular Weight：

174.19

Exact Mass：

174.19

BRN：

1210161

EC Number：

208-010-9

UNII：

6U7Y4M9C1H

NSC Number：

53777|25952

DSSTox ID：

DTXSID8021644

HScode：

29171990

Characteristics

PSA：

74.6

XLogP3：

Appearance：

White to cream Powder

Density：

1.272 g/cm³

Melting Point：

144 °C

Boiling Point：

345.5 °C

Flash Point：

203 °C

Refractive Index：

1.476

Water Solubility：

H2O: 0.6 g/L (20 ºC)

Storage Conditions：

Store below +30°C.

Vapor Pressure：

2.88e-07 mmHg

Collision Cross Section：

133.2 Å² [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|137.7 Å² [M-2H+Na]-

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36-36/37/38

safety instructions：

26-39-36

Marks：

Stability/Shelf Life：

Stable. Combustible. Incompatible with strong oxidizing agents, reducing agents, bases.

Precautionary statement(s)：

P305 + P351 + P338

Hazard Statements：

H319

Drug Information

MeSH Entry Terms：

suberic acid

Suberic acid Use and Manufacturing

Uses

In the plastics industry.

Adhesives and sealant chemicals|Intermediates

Manufacturing Info：

Adhesive manufacturing|Octanedioic acid: ACTIVE|All other basic organic chemical manufacturing|Carboxylic acids, di-, C4-11: ACTIVE

Use Classification：

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

Computed Properties

Molecular Weight:174.19
XLogP3:1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:174.08920892
Monoisotopic Mass:174.08920892
Topological Polar Surface Area:74.6
Heavy Atom Count:12
Complexity:135
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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