CAS 2500-59-6 | 2-Oxiraneoctanoic acid, 3-octyl-, methyl ester | CAS Number 2500-59-6

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2500-59-6 | 2-Oxiraneoctanoic acid, 3-octyl-, methyl ester

CAS No: 2500-59-6 Catalog No: AG002Q68 MDL No:

Product Description

Catalog Number:

AG002Q68

Chemical Name:

2-Oxiraneoctanoic acid, 3-octyl-, methyl ester

CAS Number:

2500-59-6

Molecular Formula:

C19H36O3

Molecular Weight:

312.4873

IUPAC Name:

methyl 8-(3-octyloxiran-2-yl)octanoate

InChI:

InChI=1S/C19H36O3/c1-3-4-5-6-8-11-14-17-18(22-17)15-12-9-7-10-13-16-19(20)21-2/h17-18H,3-16H2,1-2H3

InChI Key:

CAMHHLOGFDZBBG-UHFFFAOYSA-N

SMILES:

CCCCCCCCC1OC1CCCCCCCC(=O)OC

EC Number:

219-699-0

Properties

Complexity:

278

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

312.266g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

312.494g/mol

Monoisotopic Mass:

312.266g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

38.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

6.5

Literature

Title	Journal
Evaporative light scattering detector in normal-phase high-performance liquid chromatography determination of FAME oxidation products.	Journal of chromatography. A 20120907
An octanuclear molybdenum(VI) complex containing coordinatively bound 4,4'-di-tert-butyl-2,2'-bipyridine, [Mo8O22(OH)4(di-tBu-bipy)4]: synthesis, structure, and catalytic epoxidation of bio-derived olefins.	Inorganic chemistry 20120319
A peroxygenase pathway involved in the biosynthesis of epoxy fatty acids in oat.	Plant physiology 20110901
Synthesis of an amine-oleate derivative using an ionic liquid catalyst.	Journal of agricultural and food chemistry 20090923
Photochemistry of imidacloprid in model systems.	Journal of agricultural and food chemistry 20080910
Analysis of the oxidation products of cis- and trans-octadecenoate methyl esters by capillary gas chromatography-ion-trap mass spectrometry. I. Epoxide and dimeric compounds.	Journal of chromatography. A 20030124