2,3-Dimethylphenol solution - analytical standard, 1000ug/ml in methanol , CAS No.526-75-0

CAS: 526-75-0 Cat. No.: D117386 Formule: C₈H₁₀O Poids moléculaire: 122.16 Beilstein Registry Number: 1906267 Numéro CE: 208-395-3

QUALITÉ & PURETÉ Analytical standard, 1000ug/ml in methanol

Synonyms

2,3-DIMETHYLPHENOL|526-75-0|2,3-Xylenol|Dimethylphenol|1-Hydroxy-2,3-dimethylbenzene|1300-71-6|Phenol, 2,3-dimethyl-|o-Xylenol|Vic-o-Xylenol|o-3-Xylenol|Phenol, dimethyl-|3-Hydroxyl-o-xylene|2,3-Dimethyl phenol|NSC 62011|RLF9YS3586|CHEMBL1490403|DTXSID602

Storage

Protected from light,Room temperature

Shipped In

FedEx DG Service

Spécifications

Synonymes

2,3-DIMETHYLPHENOL | 526-75-0 | 2,3-Xylenol | Dimethylphenol | 1-Hydroxy-2,3-dimethylbenzene | 1300-71-6 | Phenol, 2,3-dimethyl- | o-Xylenol | Vic-o-Xylenol | o-3-Xylenol | Phenol, dimethyl- | 3-Hydroxyl-o-xylene | 2,3-Dimethyl phenol | NSC 62011 | RLF9YS3586 | CHEMBL1490403 | DTXSID602

Spécifications et pureté

analytical standard, 1000ug/ml in methanol

Conditions de stockage de stockage

Protected from light,Room temperature

Expédié en

FedEx DG Service

Grade

Analytical standard

Noms et identifiants

Sourires canoniques

CC1=C(C(=CC=C1)O)C

IUPAC Name

2,3-dimethylphenol

InChIKey

QWBBPBRQALCEIZ-UHFFFAOYSA-N

INCHI

1S/C8H10O/c1-6-4-3-5-8(9)7(6)2/h3-5,9H,1-2H3

Isomères SMILES

CC1=C(C(=CC=C1)O)C

WGK Allemagne

3

RTECS

ZE5500000

Numéro ONU

2261

Groupe d'emballage

II

Poids moléculaire

122.16

Beilstein

1906267

Reaxy-Rn

1906267

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1906267&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: Cresols
• Intermediate Tree Nodes: Not available
• Direct Parent: Ortho cresols
• Alternative Parents: o-Xylenes Meta cresols 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: O-xylene - Xylene - O-cresol - M-cresol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Description: 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: 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

Cibles associées (humaines)

ATM Tchem Serine-protein kinase ATM (4198 Activities)

Discover Target: ATM

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Cibles associées (non humaines)

Cruzipain (33337 Activities)

Explore this target

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Trpa1 Transient receptor potential cation channel subfamily A member 1 (1003 Activities)

Discover Target: Trpa1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: Light sensitive.
• Indice de réfraction: 1.542
• Point d'éclair (°F): 95℃
• Point d'éclair (°C): 95℃
• Point d'ébullition (°C): 218°C
• Point de fusion (°C): 75°C
• Poids moléculaire: 122.160 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 122.073 Da
• Monoisotopic Mass: 122.073 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 90.600
• 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