3,4-Dimethyl-5-propyl-2-furantridecanoic acid
Impurity reference standard
- CAS number
- 69662-69-7
- InChIKey
- IGZNOKSSNQTWMY-UHFFFAOYSA-N
- Molecular formula
- C22H38O3
- Molecular weight
- 350.54
- Exact mass
- 350.2821 Da
- Purity
- 95%+
- Storage
- -80±5℃
About 3,4-Dimethyl-5-propyl-2-furantridecanoic acid
3,4-Dimethyl-5-propyl-2-furantridecanoic acid is supplied as an analytical reference standard. It is registered under CAS number 69662-69-7.
The compound is characterised by its molecular formula C22H38O3 and a molecular weight of 350.54, with the two-dimensional structure shown above.
Computed from the structure, the compound has a monoisotopic mass of 350.2821 Da, a calculated LogP of 6.77, a topological polar surface area of 50.44 Ų. It presents 1 hydrogen-bond donor and 2 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: -80±5℃.
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)
- 6.77
- Topological polar surface area
- 50.44 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 15
- Heavy atoms
- 25
- Rings
- 1
- Elemental composition
- C 75.38% · H 10.93% · O 13.69%
Frequently asked questions
What purity does 3,4-Dimethyl-5-propyl-2-furantridecanoic acid ship at?
3,4-Dimethyl-5-propyl-2-furantridecanoic acid is supplied at 95%+, as stated on the certificate of analysis issued with each pack.
Does 3,4-Dimethyl-5-propyl-2-furantridecanoic 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 3,4-Dimethyl-5-propyl-2-furantridecanoic acid uniquely identified?
The InChIKey IGZNOKSSNQTWMY-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 3,4-Dimethyl-5-propyl-2-furantridecanoic 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 3,4-Dimethyl-5-propyl-2-furantridecanoic acid?
Standard packs run from milligram to gram quantities and ship from stock. Larger or custom synthesis requirements are quoted on request.
How should 3,4-Dimethyl-5-propyl-2-furantridecanoic acid be stored?
Recommended storage: -80±5℃.
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.