Eicosanoic acid

• CAS: 506-30-9
• Catalog Number: ACM506309
• Category: Main Products; Fatty Acids and Ester Homologs
• Molecular Weight: 312.53
• Molecular Formula: C20H40O2
• Description: Liquid; OtherSolid;Solid
• Synonyms: Arachidic acid
• IUPAC Name: icosanoic acid
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCC(=O)O
• InChI: InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)
• InChI Key: VKOBVWXKNCXXDE-UHFFFAOYSA-N
• Boiling Point: 328.0 °C
• Melting Point: 74-76 °C (lit.)
• Flash Point: 110 °C
• Appearance: Solid
• Storage: Freezer
• CNo.Chain: C20:0
• Complexity: 226
• Compound Derivative: Acid
• Covalently-Bonded Unit Count: 1
• EC Number: 208-031-3
• Exact Mass: 312.302831g/mol
• Fatty Acid: Eicosanoic; (Arachidic)
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 1
• Heavy Atom Count: 22
• LogP: 9.29 (LogP);9.29
• Monoisotopic Mass: 312.302831g/mol
• NSC Number: 93983
• Physical State: Solid
• Rotatable Bond Count: 18
• UNII: PQB8MJD4RB
• Vapor Pressure: 1.81e-09 mmHg
• XLogP3: 8.5

Custom Q&A

What is the molecular formula of Eicosanoic acid?

The molecular formula of Eicosanoic acid is C20H40O2.

What are some synonyms for Eicosanoic acid?

Some synonyms for Eicosanoic acid include Arachidic acid, Icosanoic acid, and EICOSANOIC ACID.

What is the molecular weight of Eicosanoic acid?

The molecular weight of Eicosanoic acid is 312.5 g/mol.

What is the IUPAC name of Eicosanoic acid?

The IUPAC name of Eicosanoic acid is icosanoic acid.

How is the InChIKey of Eicosanoic acid computed?

The InChIKey of Eicosanoic acid is computed by InChI 1.0.6.

What is the Canonical SMILES representation of Eicosanoic acid?

The Canonical SMILES representation of Eicosanoic acid is CCCCCCCCCCCCCCCCCCCC(=O)O.

What is the CAS number of Eicosanoic acid?

The CAS number of Eicosanoic acid is 506-30-9.

What is the XLogP3 value of Eicosanoic acid?

The XLogP3 value of Eicosanoic acid is 8.5.

How many hydrogen bond donor counts does Eicosanoic acid have?

Eicosanoic acid has 1 hydrogen bond donor count.

How many rotatable bond counts does Eicosanoic acid have?

Eicosanoic acid has 18 rotatable bond counts.

Synthetic Use

Downstream Synthesis Route 1

• 67-56-1
• 506-30-9

• 1120-28-1

Reference: [1]Synthetic Communications,2012,vol. 42,p. 2299 - 2308

Downstream Synthesis Route 2

• 64-17-5
• 506-30-9

• 18281-05-5

Reference: [1]Journal of the Chemical Society,1925,vol. 127,p. 71
[2]Journal of Biological Chemistry,1924,vol. 59,p. 921
[3]Journal of the Indian Chemical Society,1981,vol. 58,p. 895 - 897

Downstream Synthesis Route 3

• 4704-94-3
• 506-30-9

• 103650-86-8

Reference: [1]Chemische Berichte,1955,vol. 88,p. 1511,1516,1518

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