2-Mono-beta-Monocaprylin
Impurity reference standard
- CAS number
- 4228-48-2
- InChIKey
- NIZDYFWLWAFJLJ-UHFFFAOYSA-N
- Molecular formula
- C11H22O4
- Molecular weight
- 218.29
- Exact mass
- 218.1518 Da
- Purity
- 95%+
- Appearance
- Colourless Oil
- Storage
- 2℃ ~ 8℃
About 2-Mono-beta-Monocaprylin
2-Mono-beta-Monocaprylin is supplied as an analytical reference standard. It is registered under CAS number 4228-48-2.
The compound is characterised by its molecular formula C11H22O4 and a molecular weight of 218.29, with the two-dimensional structure shown above.
Computed from the structure, the compound has a monoisotopic mass of 218.1518 Da, a calculated LogP of 1.24, a topological polar surface area of 66.76 Ų. It presents 2 hydrogen-bond donors and 4 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)
- 1.24
- Topological polar surface area
- 66.76 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 15
- Rings
- 0
- Elemental composition
- C 60.52% · H 10.16% · O 29.32%
Frequently asked questions
What purity does 2-Mono-beta-Monocaprylin ship at?
2-Mono-beta-Monocaprylin is supplied at 95%+, as stated on the certificate of analysis issued with each pack.
Does 2-Mono-beta-Monocaprylin 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-Mono-beta-Monocaprylin uniquely identified?
The InChIKey NIZDYFWLWAFJLJ-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-Mono-beta-Monocaprylin?
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-Mono-beta-Monocaprylin?
Standard packs run from milligram to gram quantities and ship from stock. Larger or custom synthesis requirements are quoted on request.
How should 2-Mono-beta-Monocaprylin 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.