cis-3-Hexenal solution - 50% in triacetin, stabilized , CAS No.6789-80-6

CAS: 6789-80-6 Cat. No.: C466717 Molecular Weight: 98.14 EC Number: 229-854-4

GRADE & PURITY 50% in triacetin, stabilized

Synonyms

3-Hexenal, cis- | BRN 1720171 | (Z)-3-hexanal | (Z)-3-HEXENAL | (Z)-Hex-3enal | (Z)-Hex-3-enal | Z-3-hexenal | 4-01-00-03469 (Beilstein Handbook Reference) | (Z)-hex-3-enal, 50% in triacetin | (Z)-3-hexen-1-al | cis-beta,gamma-Hexylenic aldehyde | EINECS

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Description

cis-3-Hexenal solution may be used as a standard to identify and quantify the volatile organic compounds emitted by wounded plants using chemical-ionization mass spectrometry.

Specifications

Synonyms

3-Hexenal, cis- | BRN 1720171 | (Z)-3-hexanal | (Z)-3-HEXENAL | (Z)-Hex-3enal | (Z)-Hex-3-enal | Z-3-hexenal | 4-01-00-03469 (Beilstein Handbook Reference) | (Z)-hex-3-enal, 50% in triacetin | (Z)-3-hexen-1-al | cis-beta, gamma-Hexylenic aldehyde | EINECS

Specifications & Purity

50% in triacetin, stabilized

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Names and Identifiers

• Canonical Smiles: CCC=CCC=O
• IUPAC Name: (Z)-hex-3-enal
• InChIKey: GXANMBISFKBPEX-ARJAWSKDSA-N
• INCHI: 1S/C6H10O/c1-2-3-4-5-6-7/h3-4,6H,2,5H2,1H3/b4-3-
• Isomeric SMILES: CC/C=C\CC=O
• Molecular Weight: 98.14
• Reaxy-Rn: 1739452
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1739452&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: 98.140 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 98.0732 Da
• Monoisotopic Mass: 98.0732 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 64.599
• 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

References

1. Mei-Mei Wang, Ming He, Hong Wang, Yun-Feng Ma, Youssef Dewer, Fan Zhang, Peng He.  (2020)  A candidate aldehyde oxidase in the antennae of the diamondback moth, Plutella xylostella (L.), is potentially involved in the degradation of pheromones, plant-derived volatiles and the detoxification of xenobiotics.  PESTICIDE BIOCHEMISTRY AND PHYSIOLOGY,      [PMID:33357547] [10.1016/j.pestbp.2020.104726]

2. Kaiming Mao, Chengzhe Li, Huacai Zhai, Yuying Wang, Yonggen Lou, Wenhua Xue, Guoxin Zhou.  (2024)  OsRCI-1-Mediated GLVs Enhance Rice Resistance to Brown Planthoppers.  Plants-Basel,  13  (11): (1494).  [PMID:38891303] [10.3390/plants13111494]

3. Liwen Ding, Zewen Liu, Weihang Wang, Yang Yang, Ren Sa, Hongmei Wang, Liru Mi, Yalan Qin, Shaocong Kang, Meruyert Medelbek, Assiya Ansabayeva, Yuling Meng, Weixing Shan.  (2025)  Negative Immune Regulator CAD7 Functions as a Small-Molecule Aldehyde Reductase and Increases Histamine Accumulation in Arabidopsis.  MOLECULAR PLANT PATHOLOGY,  26  (12): (e70196).  [PMID:41456913] [10.1111/mpp.70196]