Heptyl 2-ethylhexanoate structure

Heptyl 2-ethylhexanoate

heptyl 2-ethylhexanoate

Also Known As: Heptyl 2-ethylhexanoate|ACMC-20mg98|Heptyl 2-ethylhexanoate #|Hexanoic acid, 2-ethyl-, heptyl ester|2-Ethyl-capronsaeure-heptylester

CAS: 112445-68-8
Molecular Formula C15H30O2
Molecular Weight 242.22458 g/mol
LogP 5.8
Topological Polar Surface Area 26.3 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
Rotatable Bonds 12
Exact Mass 242.22458
Monoisotopic Mass 242.22458
Heavy Atoms 17
Complexity 178.0

Chemical Identifiers

CAS Number 112445-68-8
SMILES CCCCCCCOC(=O)C(CC)CCCC
InChIKey ZEYQXRVECWKGOQ-UHFFFAOYSA-N

Patent-Derived Application Labels

Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.

Agrochemicals (20 patents) Analytical Reagents (1 patents) Coatings & Adhesives (1 patents) Construction Chemicals (3 patents) Electronic Chemicals (2 patents) Lubricants & Additives (9 patents) Specialty Chemicals (2 patents) Surfactants & Detergents (1 patents)

Product Overview

Heptyl 2-ethylhexanoate (CAS 112445-68-8), with molecular formula C15H30O2 and molecular weight 242.22458 g/mol. IUPAC: heptyl 2-ethylhexanoate.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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