BENZOIC ACID, 3-ALLYL-4-HYDROXY-5-PROPYL-, ETHYL ESTER

ethyl 4-hydroxy-3-prop-2-enyl-5-propylbenzoate

CAS: 100347-68-0

Molecular Formula	`C15H20O3`
Molecular Weight	248.32 g/mol
LogP	4.2
Topological Polar Surface Area	46.5 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	7
Exact Mass	248.14125
Heavy Atoms	18
Complexity	275.0

Chemical Identifiers

CAS Number	100347-68-0
SMILES	`CCCC1=C(C(=CC(=C1)C(=O)OCC)CC=C)O`
InChIKey	`HGBSODFOTQNLSP-UHFFFAOYSA-N`

📖 Product Overview

BENZOIC ACID, 3-ALLYL-4-HYDROXY-5-PROPYL-, ETHYL ESTER (CAS: 100347-68-0) is a chemical compound with molecular formula C15H20O3 and molecular weight 248.32 g/mol. Its IUPAC systematic name is ethyl 4-hydroxy-3-prop-2-enyl-5-propylbenzoate. LogP 4.2 Topological Polar Surface Area 46.5 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 7 Exact Mass 248.14125 Heavy Atoms 18 Complexity 275.0 InChI Key: HGBSODFOTQNLSP-UHFFFAOYSA-N. SMILES: CCCC1=C(C(=CC(=C1)C(=O)OCC)CC=C)O.

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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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We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

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