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Basic Description
| Synonyms | 2-phenyl butane | AKOS000120879 | Benzene, (1-methylpropyl)- | Secondary butylbenzene | EC 270-126-0 | HSDB 7212 | sec-butyl benzene | 2-Phenylbutane | DTXCID902333 | SEC-BUTYLBENZENE [MI] | BUTAN-2-YLBENZOL | CHEBI:35097 | (+/-)-SEC-BUTYLBENZENE | .alpha |
|---|---|
| Specifications & Purity | ≥99% |
| Storage Temp | Room temperature |
| Shipped In | Normal |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
- Subclass Phenylpropanes
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Phenylpropanes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpropanes |
| Alternative Parents | Aromatic hydrocarbons Unsaturated hydrocarbons |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylpropane - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety. |
| External Descriptors | alkylbenzene |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Names and Identifiers
| Pubchem Sid | 488180857 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488180857 |
| IUPAC Name | butan-2-ylbenzene |
| INCHI | InChI=1S/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3 |
| InChIKey | ZJMWRROPUADPEA-UHFFFAOYSA-N |
| Smiles | CCC(C)C1=CC=CC=C1 |
| Isomeric SMILES | CCC(C)C1=CC=CC=C1 |
| WGK Germany | 2 |
| Molecular Weight | 134.22 |
| Beilstein | 1903902 |
| Reaxy-Rn | 1903902 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1903902&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 E2516201 |
Certificate of Analysis | Mar 18, 2025 | B100253 |
| A1922140 |
Certificate of Analysis | Nov 14, 2022 | B100253 |
| G2229081 |
Certificate of Analysis | Jul 04, 2022 | B100253 |
| J2227130 |
Certificate of Analysis | Jul 04, 2022 | B100253 |
| C2308970 |
Certificate of Analysis | Jun 24, 2021 | B100253 |
Chemical and Physical Properties
| Solubility | Insoluble in water; Degree of Solubility in water: 17.6 mg/l 25 °C; Miscible with Ether,Alcohol,Benzene |
|---|---|
| Refractive Index | 1.49 |
| Flash Point(°C) | 45°C |
| Boil Point(°C) | 173°C |
| Melt Point(°C) | -75°C |
| Molecular Weight | 134.220 g/mol |
| XLogP3 | 4.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 2 |
| Exact Mass | 134.11 Da |
| Monoisotopic Mass | 134.11 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 80.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
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