cis-3-esenile cis-3-esenoato - ≥95%(GC) , CAS No.61444-38-0

CAS: 61444-38-0 Cat. No.: C153420 Formula: C₁₂H₂₀O₂ Peso molecolare: 196.29 Numero EC: 262-797-3

GRADE & PURITY ≥95%(GC)

Synonyms

3-Hexenoic acid, (3Z)-3-hexen-1-yl ester, (3Z)- | (Z)-Hex-3-enyl (Z)-hex-3-enoate | EC 262-797-3 | .beta.-Oxyaethyl-morpholin | 3-Hexenoic acid, 3-hexenyl ester, (Z,Z)- | cis-3-Hexenyl cis-3-hexenoate | LMFA07010805 | (Z)-(Z)-Hex-3-en-1-yl hex-3-enoate |

Storage

Argon charged,Room temperature

Shipped In

Normale

Specifications

Sinonimi

3-Hexenoic acid, (3Z)-3-hexen-1-yl ester, (3Z)- | (Z)-Hex-3-enyl (Z)-hex-3-enoate | EC 262-797-3 | .beta.-Oxyaethyl-morpholin | 3-Hexenoic acid, 3-hexenyl ester, (Z,Z)- | cis-3-Hexenyl cis-3-hexenoate | LMFA07010805 | (Z)-(Z)-Hex-3-en-1-yl hex-3-enoate |

Specifiche e purezza

≥95%(GC)

Condizioni di conservazione di stoccaggio

Argon charged,Room temperature

Spedito in

Normale

Purezza

≥95%(GC)

Nomi e identificatori

• Pubchem Sid: 504764156
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764156
• Sorrisi canonici: CCC=CCCOC(=O)CC=CCC
• IUPAC Name: [(Z)-hex-3-enyl] (Z)-hex-3-enoate
• InChIKey: UZJQQWFHPLYECS-SFECMWDFSA-N
• INCHI: 1S/C12H20O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h5-8H,3-4,9-11H2,1-2H3/b7-5-,8-6-
• Isomeri SMILES: CC/C=C\CCOC(=O)C/C=C\CC
• Peso molecolare: 196.29
• Reaxy-Rn: 1865505
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1865505&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid esters
• Alternative Parents: Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
• 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

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.45
• Punto di infiammabilità (°F): 104°C(lit.)
• Punto di infiammabilità (°C): 104°C(lit.)
• Punto di ebollizione (°C): 60℃/0.5mmHg
• Peso molecolare: 196.290 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 196.146 Da
• Monoisotopic Mass: 196.146 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 192.000
• 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

Riferimenti

1. Chang He, Jingtao Zhou, Yuchuan Li, De zhang, Bernard Ntezimana, Junyu Zhu, Xiaoyong Wang, Wenluan Xu, Xiaoju Wen, Yuqiong Chen, Zhi Yu, Yu Wang, Dejiang Ni.  (2023)  The aroma characteristics of oolong tea are jointly determined by processing mode and tea cultivars.  Food Chemistry-X,      [PMID:37397208] [10.1016/j.fochx.2023.100730]

2. Jilai Cui, Xiaoting Zhai, Danyang Guo, Wenkai Du, Ting Gao, Jie Zhou, Wilfried G. Schwab, Chuankui Song.  (2021)  Characterization of Key Odorants in Xinyang Maojian Green Tea and Their Changes During the Manufacturing Process.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:34932338] [10.1021/acs.jafc.1c06473]