Pentaerythritol Mono-Propionate
Impurity reference standard
- CAS number
- 51690-77-8
- InChIKey
- JBSODNBBAKNHEU-UHFFFAOYSA-N
- Molecular formula
- C8H16O5
- Molecular weight
- 192.21
- Exact mass
- 192.0998 Da
- Purity
- 95%+
- Appearance
- Colourless Liquid
- Storage
- 2℃ ~ 8℃
About Pentaerythritol Mono-Propionate
Pentaerythritol Mono-Propionate is supplied as an analytical reference standard. It is registered under CAS number 51690-77-8.
The compound is characterised by its molecular formula C8H16O5 and a molecular weight of 192.21, with the two-dimensional structure shown above.
Computed from the structure, the compound has a monoisotopic mass of 192.0998 Da, a calculated LogP of -1.10, a topological polar surface area of 86.99 Ų. It presents 3 hydrogen-bond donors and 5 acceptors. 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. Recommended storage: 2℃ ~ 8℃.
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)
- -1.10
- Topological polar surface area
- 86.99 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Rings
- 0
- Elemental composition
- C 49.99% · H 8.39% · O 41.62%
Frequently asked questions
What purity does Pentaerythritol Mono-Propionate ship at?
Pentaerythritol Mono-Propionate is supplied at 95%+, as stated on the certificate of analysis issued with each pack.
Does Pentaerythritol Mono-Propionate 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 Pentaerythritol Mono-Propionate uniquely identified?
The InChIKey JBSODNBBAKNHEU-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 Pentaerythritol Mono-Propionate?
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 Pentaerythritol Mono-Propionate?
Standard packs run from milligram to gram quantities and ship from stock. Larger or custom synthesis requirements are quoted on request.
How should Pentaerythritol Mono-Propionate be stored?
Recommended storage: 2℃ ~ 8℃.
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.