(9Z,12E)-Tetradecadien-1-yl Acetate - ≥90% , CAS No.31654-77-0

CAS: 31654-77-0 Cat. No.: C353734 Molecular Weight: 252.39 EC Number: 250-753-6

GRADE & PURITY ≥90%

Synonyms

(Z)-9-(E)-12-Tetradecadien-1-ol acetate | 7Q008ABC8A | Z9E12-14Ac | 9,12-Tetradecadien-1-yl, acetate, (E,Z)- | Tox21_302010 | EINECS 221-422-3 | HY-128701 | Q27268698 | Pherodin SL | NCGC00255494-01 | AKOS040744162 | UNII-7Q008ABC8A | 9,12-Tetradecadien-1

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

cis-9,trans-12-Tetradecadienyl acetate is a pheromone for Anagasta kuhniella, Cadra elutella, Cadra cautella, Cadra figulilella, Plodia interpunctella, Spodoptera exigua, Spodoptera exempta and Spodoptera litura.

Specifications

Synonyms

(Z)-9-(E)-12-Tetradecadien-1-ol acetate | 7Q008ABC8A | Z9E12-14Ac | 9, 12-Tetradecadien-1-yl, acetate, (E, Z)- | Tox21_302010 | EINECS 221-422-3 | HY-128701 | Q27268698 | Pherodin SL | NCGC00255494-01 | AKOS040744162 | UNII-7Q008ABC8A | 9, 12-Tetradecadien-1

Specifications & Purity

≥90%

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥90%

Names and Identifiers

• Pubchem Sid: 504764169
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764169
• Canonical Smiles: CC=CCC=CCCCCCCCCOC(=O)C
• IUPAC Name: [(9E,12Z)-tetradeca-9,12-dienyl] acetate
• InChIKey: ZZGJZGSVLNSDPG-WWVFNRLHSA-N
• INCHI: 1S/C16H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h3-4,6-7H,5,8-15H2,1-2H3/b4-3-,7-6+
• Isomeric SMILES: C/C=C\C/C=C/CCCCCCCCOC(=O)C
• Molecular Weight: 252.39
• Reaxy-Rn: 5377912
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5377912&ln=

Taxonomic Classification

Taxonomy Tree

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

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

Chemical and Physical Properties

• Solubility: Benzene (Slightly), Chloroform (Slightly), Methanol (Slightly)
• Sensitivity: light sensitive
• Molecular Weight: 252.390 g/mol
• XLogP3: 5.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 12
• Exact Mass: 252.209 Da
• Monoisotopic Mass: 252.209 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 241.000
• 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