≥99 atom% 13C for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
| Sorrisos canónicos | C1=CC=C(C=C1)O |
|---|---|
| IUPAC Name | (1,2,3,4,5,6-13C6)cyclohexatrienol |
| InChIKey | ISWSIDIOOBJBQZ-IDEBNGHGSA-N |
| INCHI | 1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H/i1+1,2+1,3+1,4+1,5+1,6+1 |
| SMILES isoméricas | [13CH]1=[13CH][13CH]=[13C]([13CH]=[13CH]1)O |
| Número UN | 1671 |
| Peso molecular | 100.07 |
| Reaxy-Rn | 969616 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=969616&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 |
| Classe | Phenols |
| Subclass | 1-hydroxy-4-unsubstituted benzenoids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 1-hydroxy-4-unsubstituted benzenoids |
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Organooxygen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound |
| Descrição | This compound belongs to the class of organic compounds known as 1-hydroxy-4-unsubstituted benzenoids. These are phenols that are unsubstituted at the 4-position. |
| External Descriptors | Not available |
| Ponto de inflamação (°F) | 174.2 °F - closed cup |
|---|---|
| Ponto de inflamação (°C) | 79 °C - closed cup |
| Ponto de ebulição (°C) | 182℃ (lit.) |
| Ponto de fusão (°C) | 40-42℃ (lit.) |
| Peso molecular | 100.067 g/mol |
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 100.062 Da |
| Monoisotopic Mass | 100.062 Da |
| Topological Polar Surface Area | 20.200 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 46.100 |
| Isotope Atom Count | 6 |
| 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 |
