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Carbethyl salicylate structure
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Carbethyl salicylate

TL;DR: Carbethyl salicylate (CAS 118-27-4) is a chemical compound with molecular formula C19H18O7 and molecular weight 358.10526 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

ethyl 2-(2-ethoxycarbonylphenoxy)carbonyloxybenzoate

Also Known As: Carbethyl salicylate, Sal Ethyl carbonate, Ethyl salicylate carbonate, NIOSH/FF9702500, diethyl 2,2'-[carbonylbis(oxy)]dibenzoate

CAS Number
118-27-4
Molecular Formula
C19H18O7
Molecular Weight
358.10526 g/mol
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Application Areas

Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.

Agrochemicals (3 patents) Pharmaceutical Intermediates (1 patents) Plastic Additives (15 patents) Polymer Intermediates (53 patents)

Technical Specifications

Molecular FormulaC19H18O7
Molecular Weight358.10526 g/mol
XLogP4.2
Topological Polar Surface Area (TPSA)88.1 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors7
Rotatable Bonds10
Exact Mass358.10526 Da
Heavy Atoms26
Complexity448.0
SMILESCCOC(=O)C1=CC=CC=C1OC(=O)OC2=CC=CC=C2C(=O)OCC
InChIKeyQWWLHNFYJSCNGD-UHFFFAOYSA-N

Chemical Property Profile of Carbethyl salicylate

XLogP
4.2
TPSA (Topological Polar Surface Area)
88.1
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
7
Rotatable Bonds
10
Heavy Atoms
26
Complexity
448.0
Exact Mass
358.10526
Monoisotopic Mass
358.10526
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of Carbethyl salicylate

The XLogP value of 4.2 indicates that Carbethyl salicylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbethyl salicylate. Following Lipinski's Rule of Five, Carbethyl salicylate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of Carbethyl salicylate?

The CAS number of Carbethyl salicylate is 118-27-4.

What is the molecular formula of Carbethyl salicylate?

The molecular formula of Carbethyl salicylate is C19H18O7.

What is the molecular weight of Carbethyl salicylate?

The molecular weight of Carbethyl salicylate is 358.10526 g/mol.

Where can I buy Carbethyl salicylate?

You can request a quote for Carbethyl salicylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for Carbethyl salicylate?

Yes, CoreyChem provides custom synthesis services for Carbethyl salicylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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