3,5-Dimethylphenol - ≥99% , CAS No.108-68-9

CAS: 108-68-9 Cat. No.: D106361 Formula: C₈H₁₀O Peso molecolare: 122.16 Beilstein Registry Number: 774117 Numero EC: 203-606-5

GRADE & PURITY ≥99%

Synonyms

1,5-Dimethyl-3-hydroxybenzene | 1,3,5-Xylenol | Tox21_303372 | 3,5-dimethylphenol-d10 | 3,5-Xylenol | 3,5-Dimethylphenol(1,3,5-Xylenol) | CAS-108-68-9 | 3,5-Dimethyl phenol | NCGC00257396-01 | InChI=1/C8H10O/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H | 3,5-Xylen-1

Storage

Protected from light,Room temperature,Argon charged

Shipped In

FedEx DG Service

Specifications

Sinonimi

1,5-Dimethyl-3-hydroxybenzene | 1,3,5-Xylenol | Tox21_303372 | 3,5-dimethylphenol-d10 | 3,5-Xylenol | 3,5-Dimethylphenol(1,3,5-Xylenol) | CAS-108-68-9 | 3,5-Dimethyl phenol | NCGC00257396-01 | InChI=1/C8H10O/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H | 3,5-Xylen-1

Specifiche e purezza

≥99%

Condizioni di conservazione di stoccaggio

Protected from light,Room temperature,Argon charged

Spedito in

FedEx DG Service

Purezza

≥99%

Nomi e identificatori

Pubchem Sid

504751523

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751523

Sorrisi canonici

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

IUPAC Name

3,5-dimethylphenol

InChIKey

TUAMRELNJMMDMT-UHFFFAOYSA-N

INCHI

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

Isomeri SMILES

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

WGK Germania

2

RTECS

ZE6475000

Numero UN

2261

Gruppo di imballaggio

II

Peso molecolare

122.16

Beilstein

774117

Reaxy-Rn

774117

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=774117&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: Meta cresols
• Alternative Parents: m-Xylenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: M-xylene - Xylene - 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
• Descrizione: This compound belongs to the class of organic compounds known as meta cresols. These are aromatic compounds containing a meta-cresol moiety, which consists of a benzene ring bearing a methyl group and a hydroxyl group at ring positions 1 and 3, respectively.
• External Descriptors: phenols

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

Obiettivi associati (umani)

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in ethyl alcohol, carbon tetrachloride, benzene, chloroform, water and ether.
• Sensibilità: Air & Light Sensitive
• Punto di infiammabilità (°F): 109 °C
• Punto di infiammabilità (°C): 109°C
• Punto di ebollizione (°C): 222°C
• Punto di fusione (°C): 64°C
• Peso molecolare: 122.160 g/mol
• XLogP3: 2.400
• 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: 80.600
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 108-68-9, the molecular formula is C8H10O, and the molecular weight is 122.16 g/mol. InChIKey TUAMRELNJMMDMT-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.