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(9Z,12E)-Tetradecadien-1-yl Acetate - 95%, high purity , CAS No.31654-77-0
Basic Description
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 Temp
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.
Product Description
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.
Taxonomic Classification
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.
Names and Identifiers
Pubchem Sid
504764169
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504764169
IUPAC Name
[(9E,12Z)-tetradeca-9,12-dienyl] acetate
INCHI
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+
InChIKey
ZZGJZGSVLNSDPG-WWVFNRLHSA-N
Smiles
CC=CCC=CCCCCCCCCOC(=O)C
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=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
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
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L2214909