(2E,4E)-2,4-Decadienoic Acid Methyl Ester - CAS 7328-33-8

Catalog:	BB062707
Product Name:	(2E,4E)-2,4-Decadienoic Acid Methyl Ester
CAS:	7328-33-8
Synonyms:	(E,E)-2,4-Decadienoic Acid Methyl Ester; Methyl (2E,4E)-2,4-Decadienoate; Methyl (E,E)-2,4-Decadienoate; Methyl 2-trans-4-trans-Decadienoate; Methyl trans-2-trans-4-Decadienoate

Technical Data

IUPAC Name:	methyl (2E,4E)-deca-2,4-dienoate
Description:	(2E,4E)-2,4-Decadienoic Acid Methyl Ester is used in biological studies of male-specific pheromone of the Central American stink bug. This analog is also used in the synthetic preparation of olefinic insect pheromones as they are versatile and allow for sterocontrolled synthesis.
Molecular Weight:	182.26
Molecular Formula:	C11H18O2
Canonical SMILES:	CCCCCC=CC=CC(=O)OC
InChI:	InChI=1S/C11H18O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h7-10H,3-6H2,1-2H3/b8-7+,10-9+
InChI Key:	SFHSEXGIVSBRRK-XBLVEGMJSA-N
Density:	0.917-0.923
Solubility:	Not soluble in water; soluble (in ethanol)
Appearance:	Clear, Yellowish liquid; light fatty note
References:	Aldrich, J.R., et al. J. Chem. Eco., 20, 1103 (1994); Vasil'ev, A.A., et al. Bioorg., Med. Chem., 4, 389 (1996).
Refractive Index:	1.488-1.494

Complexity:	181
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	2
Exact Mass:	182.130679813
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	182.130679813
Rotatable Bond Count:	7
Topological Polar Surface Area:	26.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6