trans-2-Dodecenol - ≥90%(GC) , CAS No.69064-37-5

CAS: 69064-37-5 Cat. No.: T161454 Molecular Weight: 184.32 EC Number: 614-914-8

GRADE & PURITY ≥90%(GC)

Synonyms

HY-W127557 | D1936 | (2E)-2-dodecen-1-ol | (E)-2-Dodecenol | SCHEMBL294780 | AKOS015836248 | DTXSID701017500 | 2-dodecenol | 2-Dodecen-ol | E-2-dodecen-1-ol | MFCD00014047 | Q67880208 | (E)-dodec-2-en-1-ol | trans-2-Dodecenol | (E)2-Dodecen-1-ol | trans-d

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

HY-W127557 | D1936 | (2E)-2-dodecen-1-ol | (E)-2-Dodecenol | SCHEMBL294780 | AKOS015836248 | DTXSID701017500 | 2-dodecenol | 2-Dodecen-ol | E-2-dodecen-1-ol | MFCD00014047 | Q67880208 | (E)-dodec-2-en-1-ol | trans-2-Dodecenol | (E)2-Dodecen-1-ol | trans-d

Specifications & Purity

≥90%(GC)

Storage

Protected from light, Room temperature, Argon charged

Shipped In

Normal

Purity

≥90%(GC)

Names and Identifiers

• Pubchem Sid: 488195385
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195385
• Canonical Smiles: CCCCCCCCCC=CCO
• IUPAC Name: (E)-dodec-2-en-1-ol
• InChIKey: MLRYPOCSLBIUHY-ZHACJKMWSA-N
• INCHI: 1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h10-11,13H,2-9,12H2,1H3/b11-10+
• Isomeric SMILES: CCCCCCCCC/C=C/CO
• Alternate CAS: 69064-36-4
• Molecular Weight: 184.32
• Reaxy-Rn: 1703928

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty alcohols
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty alcohols
• Alternative Parents: Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty alcohol - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Light Sensitive,Air Sensitive
• Refractive Index: 1.45
• Boil Point(°C): 141℃/14mmHg
• Melt Point(°C): 3℃
• Molecular Weight: 184.320 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 9
• Exact Mass: 184.183 Da
• Monoisotopic Mass: 184.183 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 108.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1