≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Desiccated Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504754879 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504754879 |
| Canonical Smiles | CCC(=C)C1=CC=CC=C1 |
| IUPAC Name | but-1-en-2-ylbenzene |
| InChIKey | SQHOHKQMTHROSF-UHFFFAOYSA-N |
| INCHI | 1S/C10H12/c1-3-9(2)10-7-5-4-6-8-10/h4-8H,2-3H2,1H3 |
| Isomeric SMILES | CCC(=C)C1=CC=CC=C1 |
| Molecular Weight | 132.21 |
| Reaxy-Rn | 1902944 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1902944&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Phenylpropanes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpropanes |
| Alternative Parents | Styrenes Aromatic hydrocarbons Branched unsaturated hydrocarbons Cyclic olefins |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylpropane - Styrene - Aromatic hydrocarbon - Branched unsaturated hydrocarbon - Cyclic olefin - Unsaturated hydrocarbon - Olefin - 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 | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 I2227336 | Certificate of Analysis | Jul 18, 2025 | B302726 |
| I2227337 | Certificate of Analysis | Jul 18, 2025 | B302726 |
| I2227338 | Certificate of Analysis | Jul 18, 2025 | B302726 |
| I2227339 | Certificate of Analysis | Jul 18, 2025 | B302726 |
| L2412118 | Certificate of Analysis | Jul 29, 2022 | B302726 |
| Flash Point(°C) | 57.1°C |
|---|---|
| Boil Point(°C) | 184.8°C at 760 mmHg |
| Molecular Weight | 132.200 g/mol |
| XLogP3 | 3.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 2 |
| Exact Mass | 132.094 Da |
| Monoisotopic Mass | 132.094 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 107.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
