o-Cresol - ≥99.7%(GC), colorless , CAS No.95-48-7

CAS: 95-48-7 Cat. No.: C108235 分子式: C₇H₈O 分子量: 108.14 EC番号: 202-423-8

グレード＆純度 ≥99.7%(GC), colorless

Synonyms

CAS-95-48-7 | HSDB 1813 | o-Cresol, for synthesis, 99.3% | Orthocresol | ortho-cresol | Carvacrol derivative, 9 | J-523819 | UNII-YW84DH5I7U | o-Kresol | SCHEMBL16002 | AI3-00137 | O-Cresol,(S) | Tox21_202305 | o-Hydroxytoluene | EINECS 202-423-8 | o-Cres

Storage

Protected from light,Room temperature

Shipped In

FedEx DG Service

仕様

同義語

CAS-95-48-7 | HSDB 1813 | o-Cresol, for synthesis, 99.3% | Orthocresol | ortho-cresol | Carvacrol derivative, 9 | J-523819 | UNII-YW84DH5I7U | o-Kresol | SCHEMBL16002 | AI3-00137 | O-Cresol,(S) | Tox21_202305 | o-Hydroxytoluene | EINECS 202-423-8 | o-Cres

仕様と純度

≥99.7%(GC), colorless

保管条件

Protected from light,Room temperature

入荷

FedEx DG Service

純度

≥99.7%(GC)

名前と識別子

パブケム・シド

504750378

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504750378

カノニカル・スマイル

CC1=CC=CC=C1O

IUPAC Name

2-methylphenol

InChIKey

QWVGKYWNOKOFNN-UHFFFAOYSA-N

INCHI

1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3

異性体SMILES

CC1=CC=CC=C1O

UN番号

2076

包装グループ

II

分子量

108.14

Reaxy-Rn

506917

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506917&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Phenols
      • Subclass Cresols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Phenols
• Subclass: Cresols
• Intermediate Tree Nodes: Not available
• Direct Parent: Ortho cresols
• Alternative Parents: Toluenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: O-cresol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Monocyclic benzene moiety - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as ortho cresols. These are organic compounds containing an ortho-cresol moiety, which consists of a benzene bearing one hydroxyl group at ring positions 1 and 2, respectively.
• External Descriptors: a methylphenol

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

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作用メカニズム

化学的性質と物理的性質

• 感度: Light sensitive.
• 融点（°C）: 30 °C
• 引火点（°C）: 81-83°C
• 沸点（°C）: 191-192°C
• 融点（°C）: 30°C
• 分子量: 108.140 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 108.058 Da
• Monoisotopic Mass: 108.058 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 70.800
• 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

よくある質問

What is the purity of this product, and how is it determined?

This product is supplied at ≥99.7% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 95-48-7, the molecular formula is C7H8O, and the molecular weight is 108.14 g/mol. InChIKey QWVGKYWNOKOFNN-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.