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Suberic acid

CAS：505-48-6
MW:174.19436
MF：C8H14O4

Suberic acid, with the chemical formula C8H14O4 and CAS registry number 505-48-6, is a compound known for its applications in various industries. This white crystalline solid, also referred to as octanedioic acid, is characterized by its carboxylic acid functional groups. It is commonly used as a precursor in the synthesis of polymers, such as nylon, and as a corrosion inhibitor in metalworking fluids. Suberic acid also has potential applications in the pharmaceutical and cosmetic industries. Its unique structure and properties make it a valuable compound for a wide range of applications.

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Names and ldentifier
Properties
Use and Manufacturing
Msds
NMR Spectrum
Other Information
Computational chemical data
Related Questions
Realated Product Infomation

1. Names and Identifiers

1.1 Name: Suberic acid

1.2 Synonyms: 1,6-hexanedicarboxylic acid; 1,8-diethyl octanedioate; 142-144℃; Cork Acid 1,6-Hexanedicarboxylic Acid Kork Acid Octanedioic Acid; DIETHYL SUBERATE; EINECS 208-010-9; Ethyl suberate; Hexane-1,6-dicarboxylic acid, Suberic acid; KORK ACID; Korksaeurediaethylester; MFCD00004428; octandioic acid; Octandisaeure-diaethylester; octanedinoic acid diethyl ester; Octanedioic acid; octanedioic acid diethyl ester; STRYCHNINE (P); Suberic aci; SUBERIC ACID DIETHYL ESTER;

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1.3 CAS No.: 505-48-6

1.4 CID: 10457

1.5 EINECS: 208-010-9

1.6 Molecular Formula: C8H14O4

1.7 Inchi: InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)

1.8 InChkey: TYFQFVWCELRYAO-UHFFFAOYSA-N

1.9 Canonical Smiles: C(CCCC(=O)O)CCC(=O)O

1.10 Isomers Smiles: C(CCCC(=O)O)CCC(=O)O

2. Properties

2.1 Solubility: 1.6g/l

2.2 Appearance: white crystals

2.3 Storage: Ambient temperatures.

2.4 Chemical Properties: off-white crystalline powder

2.5 Color/Form: White to cream

2.6 PH: 3.2 (1.6g/l, H2O, 20℃)

2.7 pKa: 4.52(at 25℃)

2.8 Water Solubility: 0.6 g/L (20 oC)

2.9 Stability: Stable. Combustible. Incompatible with strong oxidizing agents, reducing agents, bases.

2.10 StorageTemp: Store below +30°C.

3. Use and Manufacturing

3.1 Definition: ChEBI: An alpha,omega-dicarboxylic acid that is the 1,6-dicarboxy derivative of hexane.

3.2 Description

Suberic acid, with the chemical formula C8H14O4, has the CAS number 505-48-6. It appears as a white crystalline solid with a faint, unpleasant odor. The basic structure of suberic acid consists of a chain of eight carbon atoms with four carboxylic acid groups attached. This compound is sparingly soluble in water. Suberic acid is considered to be relatively safe for handling and use. However, it may cause irritation to the skin and eyes. It is important to avoid ingestion or inhalation of suberic acid. Proper protective measures should be taken when working with this chemical.

Applicable Fields

Polymer synthesis: Suberic acid is commonly used in the synthesis of polymers. Its purpose in this field involves its ability to act as a crosslinking agent, which helps to improve the mechanical properties of the resulting polymers. The mechanism of action in polymer synthesis involves the formation of covalent bonds between the polymer chains, leading to increased strength and stability.

Textile industry: Suberic acid is also used in the textile industry. Its purpose in this field involves its ability to act as a dyeing agent. The mechanism of action in the textile industry involves the formation of complex bonds between suberic acid and the textile fibers, resulting in the desired coloration of the fabric.

Storage

Conditions: Store in a cool and dry place.

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3.3 Purification Methods: Crystallise it from acetone. It sublimes at 300o without decomposition. [Beilstein 2 IV 2028.] Suberic acid Preparation Products And Raw materials Preparation Products

3.4 Usage: Suberic Acid is used in the preparation of reduction-sensitive micelles affecting their cellular uptake. This has potential application in delivery of anticancer drugs. It is also used in the fluorescent detection of amidinium-carboxylate and amidinium formation.

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H319 Causes serious eye irritation
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P280 Wear protective gloves/protective clothing/eye protection/face protection.
Response	P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention.
Storage	none
Disposal	none

2.3 Other hazards which do not result in classification

none

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5. NMR Spectrum

1H NMR : 400 MHz in DMSO-d6

IR : KBr disc

Mass

Mass spectrum (electron ionization)

6. Synthesis Route

505-48-6Total: 151 Synthesis Route

57-10-3 239 Suppliers

505-48-6 150 Suppliers

57-11-4 1298 Suppliers

505-48-6 150 Suppliers

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7. Precursor and Product

precursor:

544-78-5

57-10-3

956-82-1

57-11-4

502-49-8

292-64-8

629-41-4

696-71-9

629-40-3

931-88-4

product:

4336-19-0

822-06-0

673-66-5

2424-92-2

502-42-1

629-41-4

6268-58-2

638-54-0

5452-35-7

629-40-3

8. Computed Properties

Molecular Weight：174.19436g/mol
Molecular Formula：C₈H₁₄O₄
Compound Is Canonicalized：True
XLogP3-AA：174.08920892
Monoisotopic Mass：174.08920892
Complexity：135
Rotatable Bond Count：7
Hydrogen Bond Donor Count：2
Hydrogen Bond Acceptor Count：4
Topological Polar Surface Area：74.6
Heavy Atom Count：：12
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADccBwOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACACAgAAACAAAAgAIAACQCAAAAAAAAAAAAAEAAAAAABIAAAAAQAAEAAAAAAGIyKCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

9.Other Information

Usage: Suberic acid is used in drug synthesis and in the production of plastics. It is also used in the preparation of reduction-sensitive micelles, which affects their cellular uptake. Further, it is used in the delivery of anticancer drugs. In addition, it is used in the fluorescent detection of amidinium-carboxylate and amidinium formation.

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Merck: 14,8862

BRN: 1210161

Description: It was firstly produced by nitric acid oxidation of cork (Latin suber) material and then from castor oil. The oxidation of ricinoleic acid produces, by splitting at the level of the double bond and at the level of the OH group, at the same time, suberic acid (octanedioic acid) and the next homologue azelaic acid. Suberic acid was used in the manufacture of alkyd resins and in the synthesis of polyamides leading to nylon.

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Chemical Properties: off-white crystalline powder

Uses: Suberic Acid is used in the preparation of reduction-sensitive micelles affecting their cellular uptake. This has potential application in delivery of anticancer drugs. It is also used in the fluoresc ent detection of amidinium-carboxylate and amidinium formation.

Uses: In the plastics industry.

Definition: ChEBI: An alpha,omega-dicarboxylic acid that is the 1,6-dicarboxy derivative of hexane.

Synthesis Reference(s): Journal of the American Chemical Society, 81, p. 3677, 1959 DOI: 10.1021/ja01523a046

Purification Methods: Crystallise it from acetone. It sublimes at 300o without decomposition. [Beilstein 2 IV 2028.]

10. Toltal 135 Suppliers View more

Hebei Mojin Biotechnology Co.,Ltd

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Tel: Update Time:2024/11/15

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Baoji Guokang Healthchem co.,ltd

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Amitychem Corporation

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Wuhan Circle Star Chem-medical Technology Co.,Ltd

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Dayang Chem (Hangzhou) Co., Ltd.

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11. Related Questions

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12. Realated Product Infomation