3-Methyl-5-pentyl-2-furannonanoic Acid
Impurity reference standard
- CAS number
- 57818-39-0
- InChIKey
- TUQVXFOSXOCQCM-UHFFFAOYSA-N
- Molecular formula
- C19H32O3
- Molecular weight
- 308.46
- Exact mass
- 308.2351 Da
- Purity
- 95%+
- Appearance
- Oil
- Storage
- 2℃ ~ 8℃
About 3-Methyl-5-pentyl-2-furannonanoic Acid
3-Methyl-5-pentyl-2-furannonanoic Acid is supplied as an analytical reference standard. It is registered under CAS number 57818-39-0.
The compound is characterised by its molecular formula C19H32O3 and a molecular weight of 308.46, with the two-dimensional structure shown above.
Computed from the structure, the compound has a monoisotopic mass of 308.2351 Da, a calculated LogP of 5.68, 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: 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)
- 5.68
- Topological polar surface area
- 50.44 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 13
- Heavy atoms
- 22
- Rings
- 1
- Elemental composition
- C 73.98% · H 10.46% · O 15.56%
Frequently asked questions
What purity does 3-Methyl-5-pentyl-2-furannonanoic Acid ship at?
3-Methyl-5-pentyl-2-furannonanoic Acid is supplied at 95%+, as stated on the certificate of analysis issued with each pack.
Does 3-Methyl-5-pentyl-2-furannonanoic 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-Methyl-5-pentyl-2-furannonanoic Acid uniquely identified?
The InChIKey TUQVXFOSXOCQCM-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-Methyl-5-pentyl-2-furannonanoic 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-Methyl-5-pentyl-2-furannonanoic 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-Methyl-5-pentyl-2-furannonanoic Acid 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.