cis-4-Decenal - technical grade, ≥80% , CAS No.21662-09-9

CAS: 21662-09-9 Cat. No.: C476986 Molecular Weight: 154.24 EC Number: 244-514-5

GRADE & PURITY Technical grade, ≥80%

Synonyms

5R675PGU7K | CAS-21662-09-9 | LMFA06000147 | cis-4-Decenal | Antioxidant 40NA | EINECS 244-514-5 | (4Z)-4-Decenal | Q27162280 | 1,1'-methylenebis[4-chlorobenzene] | cis-4-Decenal, >=93%, stabilized, FG | UNII-5R675PGU7K | p-Hydroxydiphenylmethane carbamic

Storage

Room temperature

Overview

Description

cis-4-Decenal has been identified as one of the volatile biological marker for grey mold (Botrytis cinerea) infections in strawberry.cis-4-Decenal is suitable for use as standard compound to investigate the release of odorants in hydrocolloid model systems containing original or regio-selectively carboxylated cellulose at different pH values using static headspace gas chromatographic (SHS-GC) analysis.cis-4-Decenal may be used as standard for the standardization of 9-decenal by gas-chromatography. It may be used in the preparation ofcis-4-decenol.

Specifications

Synonyms

5R675PGU7K | CAS-21662-09-9 | LMFA06000147 | cis-4-Decenal | Antioxidant 40NA | EINECS 244-514-5 | (4Z)-4-Decenal | Q27162280 | 1, 1'-methylenebis[4-chlorobenzene] | cis-4-Decenal, >=93%, stabilized, FG | UNII-5R675PGU7K | p-Hydroxydiphenylmethane carbamic

Specifications & Purity

technical grade, ≥80%

Storage

Room temperature

Grade

Technical grade

Purity

≥80%

Names and Identifiers

• Canonical Smiles: CCCCCC=CCCC=O
• IUPAC Name: (Z)-dec-4-enal
• InChIKey: CWRKZMLUDFBPAO-SREVYHEPSA-N
• INCHI: 1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h6-7,10H,2-5,8-9H2,1H3/b7-6-
• Isomeric SMILES: CCCCC/C=C\CCC=O
• Molecular Weight: 154.24
• Reaxy-Rn: 1853610
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1853610&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Medium-chain aldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes
• Direct Parent: Medium-chain aldehydes
• Alternative Parents: Alpha-hydrogen aldehydes Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Medium-chain aldehyde - Alpha-hydrogen aldehyde - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as medium-chain aldehydes. These are an aldehyde with a chain length containing between 6 and 12 carbon atoms.
• External Descriptors: Fatty aldehydes

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

• Molecular Weight: 154.250 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 154.136 Da
• Monoisotopic Mass: 154.136 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 105.000
• 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