2,4-Decadien-1-ol - ≥95% , CAS No.14507-02-9

CAS: 14507-02-9 Cat. No.: D154358 Peso molecular: 154.25 Beilstein Registry Number: 1(4)2274

GRADE & PURITY ≥95%

Synonyms

(2E,4E)-deca-2,4-dienol | 21KKW523R4 | AI3-36040 | FEMA NO. 3911 | trans-2,4-Decadienol | (E,E)-2,4-Decadien-1-ol | Q27253559 | J-011794 | trans,trans-2,4-Decadien-1-ol, 90%, remainder mainly trans, cis isomer | EINECS 203-019-4 | (E,E)-2,4-DECADIEN-1-OL

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

(2E, 4E)-deca-2, 4-dienol | 21KKW523R4 | AI3-36040 | FEMA NO. 3911 | trans-2, 4-Decadienol | (E, E)-2, 4-Decadien-1-ol | Q27253559 | J-011794 | trans, trans-2, 4-Decadien-1-ol, 90%, remainder mainly trans, cis isomer | EINECS 203-019-4 | (E, E)-2, 4-DECADIEN-1-OL

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CCCCCC=CC=CCO
• IUPAC Name: (2E,4E)-deca-2,4-dien-1-ol
• InChIKey: NUBWFSDCZULDCI-BLHCBFLLSA-N
• INCHI: 1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h6-9,11H,2-5,10H2,1H3/b7-6+,9-8+
• Isómeros SMILES: CCCCC/C=C/C=C/CO
• Peso molecular: 154.25
• Beilstein: 1(4)2274
• Reaxy-Rn: 10152338
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10152338&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Índice de refracción: 1.49
• Punto de inflamación (°F): 110°C(lit.)
• Punto de inflamación (°C): 110°C(lit.)
• Peso molecular: 154.250 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 154.136 Da
• Monoisotopic Mass: 154.136 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 114.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1

Referencias

1. Ruifang Wang, Qingzhen Zhu, Lina Qiao, Jing Wang, Shengbao Feng, Hailang Sun, Ning Zhang, Baoguo Sun, Jinyuan Sun, Hehe Li, Haitao Chen.  (2023)  Characterization of the key aroma-active compounds in Qingke baijiu by application of the sensory approach.  JOURNAL OF FOOD COMPOSITION AND ANALYSIS,      [PMID:] [10.1016/j.jfca.2023.105196]