Methyl 2-cyano-2-propylpentanoate
Impurity reference standard
- CAS number
- 66546-92-7
- InChIKey
- MFPLOZTTYKIUQU-UHFFFAOYSA-N
- Molecular formula
- C10H17NO2
- Molecular weight
- 183.25
- Exact mass
- 183.1259 Da
- Purity
- 95%+
- Appearance
- Colourless Liquid
- Storage
- 2℃ ~ 8℃
About Methyl 2-cyano-2-propylpentanoate
Methyl 2-cyano-2-propylpentanoate is supplied as an analytical reference standard. It is registered under CAS number 66546-92-7.
The compound is characterised by its molecular formula C10H17NO2 and a molecular weight of 183.25, with the two-dimensional structure shown above.
Computed from the structure, the compound has a monoisotopic mass of 183.1259 Da, a calculated LogP of 2.27, a topological polar surface area of 50.09 Ų. It presents 0 hydrogen-bond donors and 3 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)
- 2.27
- Topological polar surface area
- 50.09 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Rings
- 0
- Elemental composition
- C 65.54% · H 9.35% · N 7.64% · O 17.46%
Frequently asked questions
What purity does Methyl 2-cyano-2-propylpentanoate ship at?
Methyl 2-cyano-2-propylpentanoate is supplied at 95%+, as stated on the certificate of analysis issued with each pack.
Does Methyl 2-cyano-2-propylpentanoate 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 Methyl 2-cyano-2-propylpentanoate uniquely identified?
The InChIKey MFPLOZTTYKIUQU-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 Methyl 2-cyano-2-propylpentanoate?
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 Methyl 2-cyano-2-propylpentanoate?
Standard packs run from milligram to gram quantities and ship from stock. Larger or custom synthesis requirements are quoted on request.
How should Methyl 2-cyano-2-propylpentanoate 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.