Methyl 5-hydroxy-2-methylbenzoate - ≥98% , CAS No.73505-48-3

CAS: 73505-48-3 Cat. No.: M186318 Formula: C₉H₁₀O₃ Peso molecolare: 166.2

GRADE & PURITY ≥98%

Synonyms

AKOS006307225 | AS-33137 | SCHEMBL624699 | 1,3-Diphenylacetonep-Toluenesulfonylhydrazone | J-522688 | DTXSID60552717 | SY123668 | Z1198319883 | FT-0682360 | MFCD11226199 | EN300-268042 | XRTIUIMAICRVLI-UHFFFAOYSA-N | STL557660 | BB 0261221 | AM20041093 |

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinonimi

AKOS006307225 | AS-33137 | SCHEMBL624699 | 1,3-Diphenylacetonep-Toluenesulfonylhydrazone | J-522688 | DTXSID60552717 | SY123668 | Z1198319883 | FT-0682360 | MFCD11226199 | EN300-268042 | XRTIUIMAICRVLI-UHFFFAOYSA-N | STL557660 | BB 0261221 | AM20041093 |

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 488198554
• Sorrisi canonici: CC1=C(C=C(C=C1)O)C(=O)OC
• IUPAC Name: methyl 5-hydroxy-2-methylbenzoate
• InChIKey: XRTIUIMAICRVLI-UHFFFAOYSA-N
• INCHI: 1S/C9H10O3/c1-6-3-4-7(10)5-8(6)9(11)12-2/h3-5,10H,1-2H3
• Isomeri SMILES: CC1=C(C=C(C=C1)O)C(=O)OC
• Peso molecolare: 166.2
• Reaxy-Rn: 2690246
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2690246&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Benzoic acid esters
          • Level6 m-Hydroxybenzoic acid esters

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Benzoic acid esters
• Direct Parent: m-Hydroxybenzoic acid esters
• Alternative Parents: Para cresols Benzoyl derivatives Toluenes 1-hydroxy-2-unsubstituted benzenoids Methyl esters Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: M-hydroxybenzoic acid ester - P-cresol - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Phenol - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as m-hydroxybenzoic acid esters. These are benzoic acid esters where the benzene ring is meta-substituted with a hydroxy group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Proprietà chimiche e fisiche

• Punto di ebollizione (°C): 287.9°C at 760 mmHg
• Peso molecolare: 166.170 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 166.063 Da
• Monoisotopic Mass: 166.063 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 167.000
• 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