2-Methylbutyl 2-methylbutyrate
2-甲基丁酸2-甲基丁酯
PHY-NP-12967 · Natural product research catalog
| Catalog number | PHY-NP-12967 |
|---|---|
| CAS number | 2445-78-5 |
| Molecular formula | C10H20O2 |
| Molecular weight | 172.268 g/mol |
| Chemical class | Aliphatics |
| Purity / assay | Confirmed in quotation and batch COA |
Select a pack size
| Pack | Price (USD) | Availability | Lead time |
|---|---|---|---|
| 5 mg | Request quote | To be confirmed | Confirm in quotation |
| 10 mg | Request quote | To be confirmed | Confirm in quotation |
| 20 mg | Request quote | To be confirmed | Confirm in quotation |
| 50 mg | Request quote | To be confirmed | Confirm in quotation |
| 100 mg | Request quote | To be confirmed | Confirm in quotation |
Final specifications and availability are confirmed in your quotation. No purchase or reservation is made here.
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Product information
2-Methylbutyl 2-methylbutyrate is listed in the Aliphatics section of the Phytide Bio research catalog. Standard pack sizes are 5, 10, 20, 50 and 100 mg.
For research use only. Not for human or veterinary use, diagnosis or treatment.
Names & identifiers
| IUPAC name | 2-methylbutyl 2-methylbutanoate |
|---|---|
| SMILES | CCC(C)COC(=O)C(C)CC |
| InChIKey | PVYFCGRBIREQLL-UHFFFAOYSA-N |
| Subclass / scaffold | Fatty esters：Wax monoesters |
| PubChem CID | 17129 |
Computed properties & structure classification
| Exact mass (Da) | 172.1463 | Predicted LogP | 2.6218 |
|---|---|---|---|
| Predicted TPSA (Ų) | 26.3 | H-bond donors | 0 |
| H-bond acceptors | 2 | Rotatable bonds | 5 |
| Ring count | 0 | Aromatic rings | 0 |
| Fraction Csp³ | 0.9 | Synthetic accessibility score | 2.91 |
| QED score | 0.596 | Lipinski rule violations | 0 |
| NPClassifier pathway | Fatty acids | NPClassifier superclass | Fatty esters |
| NPClassifier class | Wax monoesters | Parent SMILES | CCC(C)COC(=O)C(C)CC |
| Parent formula | C10H20O2 | Parent molecular weight | 172.268 |
| Specified stereocenters | 0 | Unspecified stereocenters | 2 |
Structure-derived values from the supplied dataset; not measured batch specifications or experimentally verified activity.
Reported natural occurrence
| Main reported source | Acca sellowiana |
|---|---|
| LOTUS / Wikidata species | Acca sellowiana(斐济果)[1]；Artemisia annua(黄花蒿)[1]；Chrysanthemum morifolium(菊花)[1]；Hippophae rhamnoides(沙棘)[1]；Humulus lupulus(蛇麻)[1] |
| Source families | Asteraceae[2]；Myrtaceae[1]；Elaeagnaceae[1]；Cannabaceae[1] |
| LOTUS species records | 5 |
| LOTUS reference records | 5 |
| COCONUT occurrence records | Artemisia argyi；Artemisia montana；Artemisia princeps；Hippophae rhamnoides |
| COCONUT organism records | 4 |
| COCONUT identifier | CNP0303745.2 |
Occurrence records are inherited from the supplied dataset. They do not establish manufacturing origin, batch traceability or independent literature verification. Taxonomic names may include synonyms.
Structure resources
Structure files describe the catalog record. They are not COA, SDS or evidence of batch quality.
Documents & specifications
| Certificate of analysis (COA) | Batch-specific document pending; not available in this preview |
|---|---|
| Safety data sheet (SDS) | Not yet published |
| Storage / solubility | Product-specific conditions to be confirmed |
| Shipping | Confirmed with the quotation |
Request applicable documentation and handling information before ordering or use.