12-Methyltridecanal - ≥95% , CAS No.75853-49-5

CAS: 75853-49-5 Cat. No.: M358600 Molecular Weight: 212.38 EC Number: 616-272-4

GRADE & PURITY ≥95%

Synonyms

M3275 | 12-METHYLTRIDECANAL [FHFI] | EINECS 299-099-3 | FT-0672289 | T2RF910W7E | 12-Methyl Tridecanal | 12-MT Aldehyde | A838526 | 12-Methyltridecanal, 85% | 12-Methyltridecanal | 12-Methyl-tridecanal | Isotetradecanal | MFCD10000650 | DTXSID20868381 | L

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

M3275 | 12-METHYLTRIDECANAL [FHFI] | EINECS 299-099-3 | FT-0672289 | T2RF910W7E | 12-Methyl Tridecanal | 12-MT Aldehyde | A838526 | 12-Methyltridecanal, 85% | 12-Methyltridecanal | 12-Methyl-tridecanal | Isotetradecanal | MFCD10000650 | DTXSID20868381 | L

Specifications & Purity

≥95%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CC(C)CCCCCCCCCCC=O
• IUPAC Name: 12-methyltridecanal
• InChIKey: OQWNKUAZQSLNSR-UHFFFAOYSA-N
• INCHI: 1S/C14H28O/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15/h13-14H,3-12H2,1-2H3
• Isomeric SMILES: CC(C)CCCCCCCCCCC=O
• Molecular Weight: 212.38
• Reaxy-Rn: 5494724
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5494724&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty aldehydes

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty aldehydes
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty aldehydes
• Alternative Parents: Alpha-hydrogen aldehydes Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty aldehyde - Alpha-hydrogen aldehyde - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aldehyde - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as fatty aldehydes. These are long chain aldehydes with a chain of at least 12 carbon atoms.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: heat & air sensitive
• Flash Point(°C): 112 °C
• Molecular Weight: 212.370 g/mol
• XLogP3: 5.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 11
• Exact Mass: 212.214 Da
• Monoisotopic Mass: 212.214 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 129.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1