Methyl Paraben-13C6 (in Acetone)

Base Information

• Chemical Name: Methyl Paraben-13C6 (in Acetone)
• CAS No.: 1581694-95-2
• Molecular Formula: C8H8O3
• Molecular Weight: 158.10
• DSSTox Substance ID: DTXSID30894090

Synonyms:1581694-95-2;Methyl Paraben-13C6;Methyl Paraben-13C6 (in Acetone);methyl 4-hydroxy(13C6)benzoate;Methyl 4-hydroxybenzoate-(ring-13C6);methyl 4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylate;DTXSID30894090;Methyl 4-hydroxybenzoate-(ring-13C6), PESTANAL(R), analytical standard

Chemical Property of Methyl Paraben-13C6 (in Acetone)

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 158.06747313
• Heavy Atom Count: 11
• Complexity: 136

Purity/Quality:

NLT 98% ^*data from raw suppliers

MethylParaben-13C6 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(=O)C1=CC=C(C=C1)O
• Isomeric SMILES: COC(=O)[13C]1=[13CH][13CH]=[13C]([13CH]=[13CH]1)O
• Uses: Methyl Paraben-13C5, is the labeled analogue of Methyl Paraben (M325660), used as preservative in foods, beverages and cosmetics.

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