2-(Benzoyloxy)-3-[(4-methylbenzoyl)oxy]butanedioic acid
Impurity reference standard
- CAS number
- 1121585-20-3
- InChIKey
- SVKBRTOQRBWOGY-UHFFFAOYSA-N
- Molecular formula
- C19H16O8
- Molecular weight
- 372.33
- Exact mass
- 372.0845 Da
- Purity
- 95%+
About 2-(Benzoyloxy)-3-[(4-methylbenzoyl)oxy]butanedioic acid
2-(Benzoyloxy)-3-[(4-methylbenzoyl)oxy]butanedioic acid is supplied as an analytical reference standard. It is registered under CAS number 1121585-20-3.
The compound is characterised by its molecular formula C19H16O8 and a molecular weight of 372.33, with the two-dimensional structure shown above.
Computed from the structure, the compound has a monoisotopic mass of 372.0845 Da, a calculated LogP of 1.92, a topological polar surface area of 127.20 Ų. It presents 2 hydrogen-bond donors and 6 acceptors. The structure carries 2 defined stereocentres, which is relevant wherever a stereochemically defined standard is required. These values are commonly used to anticipate chromatographic retention and to plan ionisation conditions during method development.
Each pack ships with a certificate of analysis reporting purity of 95%+ together with the supporting analytical data — HNMR, MS and HPLC or GC traces — so the material can be released straight into your own QC workflow.
Available from stock in milligram to gram quantities; larger or custom synthesis requirements are quoted on request.
Calculated properties
Derived from the two-dimensional structure above using RDKit. Computed values describe the parent structure and are provided as a reference for method development — they are not measured data.
- LogP (Crippen)
- 1.92
- Topological polar surface area
- 127.20 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Rings
- 2
- Defined stereocentres
- 2
- Elemental composition
- C 61.29% · H 4.33% · O 34.38%
Frequently asked questions
What purity does 2-(Benzoyloxy)-3-[(4-methylbenzoyl)oxy]butanedioic acid ship at?
2-(Benzoyloxy)-3-[(4-methylbenzoyl)oxy]butanedioic acid is supplied at 95%+, as stated on the certificate of analysis issued with each pack.
Does 2-(Benzoyloxy)-3-[(4-methylbenzoyl)oxy]butanedioic acid come with a certificate of analysis?
Yes. Every pack ships with a certificate of analysis plus the supporting analytical data — HNMR, MS and HPLC or GC traces.
How is 2-(Benzoyloxy)-3-[(4-methylbenzoyl)oxy]butanedioic acid uniquely identified?
The InChIKey SVKBRTOQRBWOGY-UHFFFAOYSA-N identifies the structure unambiguously, so it can be matched against your own registry or a public database.
Is a structure file available for 2-(Benzoyloxy)-3-[(4-methylbenzoyl)oxy]butanedioic acid?
Yes. The two-dimensional structure is drawn on this page from the SMILES record, and the SMILES or a molfile can be supplied on request.
What pack sizes are available for 2-(Benzoyloxy)-3-[(4-methylbenzoyl)oxy]butanedioic acid?
Standard packs run from milligram to gram quantities and ship from stock. Larger or custom synthesis requirements are quoted on request.
Need this standard, or a related one?
Send the compound name, CAS number or a structure file — we confirm availability, pack size and lead time, usually within one business day.