1-butoxy-4-butylbenzene
Impurity reference standard
- CAS number
- 28066-70-8
- InChIKey
- UAVOSOKKNYOWKN-UHFFFAOYSA-N
- Molecular formula
- C14H22O
- Molecular weight
- 206.32
- Exact mass
- 206.1671 Da
- Purity
- 95%+
- Appearance
- Colourless Oil
- Storage
- -20℃±5℃
About 1-butoxy-4-butylbenzene
1-butoxy-4-butylbenzene is supplied as an analytical reference standard. It is registered under CAS number 28066-70-8.
The compound is characterised by its molecular formula C14H22O and a molecular weight of 206.32, with the two-dimensional structure shown above.
Computed from the structure, the compound has a monoisotopic mass of 206.1671 Da, a calculated LogP of 4.21, a topological polar surface area of 9.23 Ų. It presents 0 hydrogen-bond donors and 1 acceptor. 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: -20℃±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)
- 4.21
- Topological polar surface area
- 9.23 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 15
- Rings
- 1
- Elemental composition
- C 81.50% · H 10.75% · O 7.75%
Frequently asked questions
What purity does 1-butoxy-4-butylbenzene ship at?
1-butoxy-4-butylbenzene is supplied at 95%+, as stated on the certificate of analysis issued with each pack.
Does 1-butoxy-4-butylbenzene 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 1-butoxy-4-butylbenzene uniquely identified?
The InChIKey UAVOSOKKNYOWKN-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 1-butoxy-4-butylbenzene?
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 1-butoxy-4-butylbenzene?
Standard packs run from milligram to gram quantities and ship from stock. Larger or custom synthesis requirements are quoted on request.
How should 1-butoxy-4-butylbenzene be stored?
Recommended storage: -20℃±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.