Determine the necessary mass, volume, or concentration for preparing a solution.
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
analytical standard, ≥98.5% Analytical standard for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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.
| Canonical Smiles | CC1=CC(=CC(=C1)OC(=O)NC)C(C)C |
|---|---|
| IUPAC Name | (3-methyl-5-propan-2-ylphenyl) N-methylcarbamate |
| InChIKey | DTAPQAJKAFRNJB-UHFFFAOYSA-N |
| INCHI | 1S/C12H17NO2/c1-8(2)10-5-9(3)6-11(7-10)15-12(14)13-4/h5-8H,1-4H3,(H,13,14) |
| Isomeric SMILES | CC1=CC(=CC(=C1)OC(=O)NC)C(C)C |
| WGK Germany | 3 |
| RTECS | FB8050000 |
| UN Number | 2757 |
| Packing Group | I |
| Molecular Weight | 207.27 |
| Beilstein | 2111695 |
| Reaxy-Rn | 2111695 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2111695&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 | Phenyl methylcarbamates |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenyl methylcarbamates |
| Alternative Parents | Phenylpropanes Cumenes Phenoxy compounds Toluenes Carbamate esters Organic carbonic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenyl methylcarbamate - Cumene - Phenylpropane - Phenoxy compound - Toluene - Carbamic acid ester - Carbonic acid derivative - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenyl methylcarbamates. These are aromatic compounds containing a methylcarbamic acid esterified with a phenyl group. |
| External Descriptors | Carbamate insecticide |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Molecular Weight | 207.270 g/mol |
|---|---|
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 207.126 Da |
| Monoisotopic Mass | 207.126 Da |
| Topological Polar Surface Area | 38.300 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 216.000 |
| 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 |
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