Hexadecanal

• CAS: 629-80-1
• Catalog Number: ACM629801
• Category: Insect Pheromone
• Molecular Weight: 240.42
• Molecular Formula: C16H32O
• Description: Solid
• Synonyms: hexadecanal;palmitaldehyde;629-80-1;N-hexadecanal;1-hexadecanal;palmitoyl aldehyde;16-Hexadecanal;Palmitic aldehyde;UNII-WQD27655QE;WQD27655QE;CHEBI:17600;EINECS 211-111-0;AI3-24252;Hexadecanaldehyde;hexadecan-1-one;Palmityl Aldehyde;ACMC-209nbe;SCHEMBL4481;GTPL6627;Palmitaldehyde, 16-Hexadecanal;QSPL 064;CHEMBL1235338;DTXSID5042039;ZINC8216082;6369AF;ANW-34488;LMFA06000088;MFCD00055568;RB3019;AKOS005145523;CS-W004305;DB03381;HY-W004305;MCULE-1337115097;AS-56311;DB-073236;FT-0626966;C00517;Q27077978;16:0 aldehyde, hexadecanal, methylene chloride solution
• IUPAC Name: hexadecanal
• Canonical SMILES: CCCCCCCCCCCCCCCC=O
• InChI: InChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h16H,2-15H2,1H3
• InChI Key: NIOYUNMRJMEDGI-UHFFFAOYSA-N
• Boiling Point: 297.8ºC at 760 mmHg
• Melting Point: 35.0 °C;35°C
• Flash Point: 138.9ºC
• Density: 0.829g/cm³
• Complexity: 143
• Covalently-Bonded Unit Count: 1
• EC Number: 211-111-0
• Exact Mass: 240.245315640g/mol
• Heavy Atom Count: 17
• Hydrogen Bond Acceptor Count: 1
• Monoisotopic Mass: 240.245315640g/mol
• Rotatable Bond Count: 14
• Topological Polar Surface Area: 17.1Ų
• UNII: WQD27655QE
• XLogP3: 7.1

Custom Q&A

What is the PubChem CID of hexadecanal?

The PubChem CID of hexadecanal is 984.

What is the molecular formula of hexadecanal?

The molecular formula of hexadecanal is C16H32O.

What is the molecular weight of hexadecanal?

The molecular weight of hexadecanal is 240.42 g/mol.

What are some synonyms of hexadecanal?

Some synonyms of hexadecanal are palmitaldehyde, 629-80-1, and N-hexadecanal.

What is the IUPAC name of hexadecanal?

The IUPAC name of hexadecanal is hexadecanal.

What is the InChI of hexadecanal?

The InChI of hexadecanal is InChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h16H,2-15H2,1H3.

What is the InChIKey of hexadecanal?

The InChIKey of hexadecanal is NIOYUNMRJMEDGI-UHFFFAOYSA-N.

What is the canonical SMILES of hexadecanal?

The canonical SMILES of hexadecanal is CCCCCCCCCCCCCCCC=O.

What is the CAS number of hexadecanal?

The CAS number of hexadecanal is 629-80-1.

What is the complexity of hexadecanal?

The complexity of hexadecanal is 143.

Synthetic Use

Upstream Synthesis Route 1

• 112-39-0

• 629-62-9
• 34557-54-5
• 544-76-3
• 14852-31-4
• 36653-82-4
• 629-80-1
• 540-10-3
• 201230-82-2
• 57-10-3

Reference: [1] RSC Advances, 2016, vol. 6, # 36, p. 30372 - 30383

Upstream Synthesis Route 2

• 112-39-0

• 629-62-9
• 34557-54-5
• 544-76-3
• 14852-31-4
• 36653-82-4
• 629-80-1
• 540-10-3
• 124-38-9
• 201230-82-2
• 57-10-3

Reference: [1] RSC Advances, 2016, vol. 6, # 36, p. 30372 - 30383

Upstream Synthesis Route 3

• 36653-82-4

• 629-80-1

Reference: [1]Ma, Zhenkun; Bobbitt, James M.
[Journal of Organic Chemistry, 1991, vol. 56, # 21, p. 6110 - 6114]

Downstream Synthesis Route 1

• 629-80-1

• 661-19-8

Reference: [1] Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1996, vol. 35, # 12, p. 1239 - 1241

Downstream Synthesis Route 2

• 67-56-1
• 629-80-1

• 2791-29-9

Reference: [1]Marx, Michael H.; Wiley, Robert A.; Satchell, D. G.; Maguire, M. Helen
[Journal of Medicinal Chemistry, 1989, vol. 32, # 6, p. 1319 - 1322]
[2]Khan, Abu T.; Mondal, Ejabul; Ghosh, Subrata; Islam, Samimul
[European Journal of Organic Chemistry, 2004, # 9, p. 2002 - 2009]
[3]Leupold; Buettner
[Hoppe-Seyler's Zeitschrift fur Physiologische Chemie, 1952, vol. 291, p. 178,181]
[4]Piantadosi et al.
[Journal of the American Chemical Society, 1958, vol. 80, p. 6613,6616]

Downstream Synthesis Route 3

• 629-80-1

• 36653-82-4

Reference: [1]Borbaruah, M.; Barua, N. C.; Sharma, R. P.
[Tetrahedron Letters, 1987, vol. 28, # 46, p. 5741 - 5742]
[2]Bordoloi, Manobjyoti; Sharma, Ram P.; Chakraborty, Vaishali
[Synthetic Communications, 1999, vol. 29, # 14, p. 2501 - 2506]
[3]Khurana; Chauhan
[Synthetic Communications, 2001, vol. 31, # 22, p. 3485 - 3489]
[4]Baruah, Robindra N.
[Tetrahedron Letters, 1992, vol. 33, # 37, p. 5417 - 5418]
[5]Krafft
[Chemische Berichte, 1883, vol. 16, p. 1722][Chemische Berichte, 1880, vol. 13, p. 1417]

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