Suberic Acid

• CAS: 505-48-6
• Catalog Number: ACM505486
• Category: Main Products
• Molecular Weight: 174.19
• Molecular Formula: C8H14O4
• Synonyms: 1.6-Hexanedica
• IUPAC Name: Octanedioic acid
• Canonical SMILES: C(CCCC(=O)O)CCC(=O)O
• InChI: InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)
• InChI Key: TYFQFVWCELRYAO-UHFFFAOYSA-N
• Boiling Point: 230 °C/15 mmHg(lit.)
• Melting Point: 140-144 °C(lit.)
• Flash Point: 203 °C
• Density: 1.3010 g/cm³
• Appearance: Solid
• Storage: Store below +30 °C
• Complexity: 135
• Exact Mass: 174.08920892
• Monoisotopic Mass: 174.08920892
• Physical State: Solid
• pKa: 4.52(at 25 °C)
• Refractive Index: 1.4370
• Topological Polar Surface Area: 74.6 Ų

Custom Q&A

What is the molecular formula of suberic acid?

The molecular formula of suberic acid is C8H14O4.

What are the synonyms for suberic acid?

The synonyms for suberic acid include octanedioic acid, 505-48-6, 1,8-octanedioic acid, and cork acid.

What is the molecular weight of suberic acid?

The molecular weight of suberic acid is 174.19 g/mol.

What is the IUPAC name of suberic acid?

The IUPAC name of suberic acid is octanedioic acid.

What is the InChI of suberic acid?

The InChI of suberic acid is InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12).

What is the InChIKey of suberic acid?

The InChIKey of suberic acid is TYFQFVWCELRYAO-UHFFFAOYSA-N.

What is the CAS number of suberic acid?

The CAS number of suberic acid is 505-48-6.

How many hydrogen bond donor counts does suberic acid have?

Suberic acid has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does suberic acid have?

Suberic acid has 4 hydrogen bond acceptor counts.

How many rotatable bond counts does suberic acid have?

Suberic acid has 7 rotatable bond counts.

Synthetic Use

Upstream Synthesis Route 1

• 1732-09-8

• 111-16-0
• 505-48-6
• 3946-32-5

Reference: [1] Patent: WO2014/150384, 2014, A1, . Location in patent: Paragraph 0091; 0092; 0093

Upstream Synthesis Route 2

• 110-86-1
• 67-56-1
• 3878-55-5
• 54322-10-0
• 124-41-4

• 505-48-6
• 627-93-0
• 20291-40-1

Reference: [1]Collection of Czechoslovak Chemical Communications,1954,vol. 19,p. 716

Downstream Synthesis Route 1

• 67-56-1
• 505-48-6

• 3946-32-5
• 1732-09-8

Reference: [1] Green Chemistry, 2016, vol. 18, # 21, p. 5764 - 5768
[2] Journal of the Chemical Society, 1935, p. 290,291

Downstream Synthesis Route 2

• 505-48-6

• 764-89-6
• 629-41-4

Reference: [1] Catalysis Science and Technology, 2016, vol. 6, # 14, p. 5668 - 5683

Downstream Synthesis Route 3

• 186581-53-3
• 505-48-6

• 1732-09-8

Reference: [1]Helvetica Chimica Acta,1926,vol. 9,p. 247
[2]Journal of the American Chemical Society,1987,vol. 109,p. 2171 - 2173

Downstream Synthesis Route 4

• 67-56-1
• 505-48-6

• 3946-32-5
• 1732-09-8

Reference: [1]Green Chemistry,2016,vol. 18,p. 5764 - 5768
[2]Journal of the Chemical Society,1935,p. 290,291

* For details of the synthesis route, please refer to the original source to ensure accuracy.