12-Methyltridecanal

• CAS: 75853-49-5
• Catalog Number: ACM75853495
• Category: Other Products
• Molecular Weight: 212.38
• Molecular Formula: C14H28O
• Description: colourless to pale yellow liquid; cooked or roasted aroma
• Synonyms: 12-Methyltridecanal;75853-49-5;Isotetradecan-1-al;Isotetradecanal;12-MT Aldehyde;UNII-T2RF910W7E;T2RF910W7E;Tridecanal, 12-methyl-;MFCD10000650;12-Methyl-tridecanal;12-Methyl Tridecanal;EINECS 299-099-3;12-Methyltridecanal, 85%;SCHEMBL756048;DTXSID20868381;12-Methyltridecanal, Technical grade;LMFA06000257;ZINC33606582;AKOS015902044;93843-20-0;U076;FT-0672289;853M495;A838526;Q27289588
• IUPAC Name: 12-methyltridecanal
• Canonical SMILES: CC(C)CCCCCCCCCCC=O
• InChI: InChI=1S/C14H28O/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15/h13-14H,3-12H2,1-2H3
• InChI Key: OQWNKUAZQSLNSR-UHFFFAOYSA-N
• Density: 0.930-0.941
• Solubility: Insoluble in water; soluble in heptane;soluble (in ethanol)
• Complexity: 129
• Covalently-Bonded Unit Count: 1
• EC Number: 299-099-3;616-272-4
• Exact Mass: 212.214015512g/mol
• Heavy Atom Count: 15
• Hydrogen Bond Acceptor Count: 1
• Monoisotopic Mass: 212.214015512g/mol
• Refractive Index: 1.445-1.455
• Rotatable Bond Count: 11
• Topological Polar Surface Area: 17.1Ų
• UNII: T2RF910W7E
• XLogP3: 5.7

Synthetic Use

Upstream Synthesis Route 1

• 21987-21-3

• 75853-49-5

Reference: [1]Carballeira, Nestor M.; Cruz, Heidyleen; Orellano, Elsie A.; Gonzalez, Fernando A.
[Chemistry and Physics of Lipids, 2003, vol. 126, # 2, p. 149 - 153]
[2]Villadsen, Nikolaj L.; Jacobsen, Kristian M.; Keiding, Ulrik B.; Weibel, Esben T.; Christiansen, Bjørn; Vosegaard, Thomas; Bjerring, Morten; Jensen, Frank; Johannsen, Mogens; Tørring, Thomas; Poulsen, Thomas B.
[Nature Chemistry, 2017, vol. 9, # 3, p. 264 - 272]
[3]Singh, Jasvinder; Arora, Ajay K.; Kaur, Amandeep; Kad, Goverdhan L.
[Collection of Czechoslovak Chemical Communications, 1994, vol. 59, # 3, p. 721 - 724]
[4]Grzeszczyk, B.; Konowal, A.; Zamojski, A.
[Polish Journal of Chemistry, 1992, vol. 66, # 10, p. 1627 - 1632]
[5]Corcilius, Leo; Liu, Dennis Y.; Ochoa, Jessica L.; Linington, Roger G.; Payne, Richard J.
[Organic and Biomolecular Chemistry, 2018, vol. 16, # 29, p. 5310 - 5320]

Upstream Synthesis Route 2

• 107841-97-4

• 75853-49-5

Reference: [1]Trivedi, S. V.; Mamdapur, V. R.
[Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1986, vol. 25, p. 176 - 177]

Downstream Synthesis Route 1

• 7677-24-9
• 75853-49-5

• 671756-90-4

Reference: [1]Carballeira, Nestor M.; Cruz, Heidyleen; Orellano, Elsie A.; Gonzalez, Fernando A.
[Chemistry and Physics of Lipids, 2003, vol. 126, # 2, p. 149 - 153]

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