1,2-Dihexyloxybenzene - ≥98% , CAS No.94259-20-8

CAS: 94259-20-8 Cat. No.: D472678 Formula: C₆H₄[O(CH₂)₅CH₃]₂ Peso molecolare: 278.43

GRADE & PURITY ≥98%

Synonyms

XNBVDORAKLGCKG-UHFFFAOYSA-N | DTXSID00402661 | SCHEMBL2859001 | 1,2-dihexoxybenzene | 1,2-Dihexyloxybenzene | 1,2-Dihexyloxybenzene, 98% | 1 2-DIHEXYLOXYBENZENE98 | AKOS015889102 | 1,2-Bis(hexyloxy)benzene

Storage

Room temperature

Specifications

Sinonimi

XNBVDORAKLGCKG-UHFFFAOYSA-N | DTXSID00402661 | SCHEMBL2859001 | 1,2-dihexoxybenzene | 1,2-Dihexyloxybenzene | 1,2-Dihexyloxybenzene, 98% | 1 2-DIHEXYLOXYBENZENE98 | AKOS015889102 | 1,2-Bis(hexyloxy)benzene

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥98%

Nomi e identificatori

Sorrisi canonici

CCCCCCOC1=CC=CC=C1OCCCCCC

IUPAC Name

1,2-dihexoxybenzene

InChIKey

XNBVDORAKLGCKG-UHFFFAOYSA-N

INCHI

1S/C18H30O2/c1-3-5-7-11-15-19-17-13-9-10-14-18(17)20-16-12-8-6-4-2/h9-10,13-14H,3-8,11-12,15-16H2,1-2H3

Isomeri SMILES

CCCCCCOC1=CC=CC=C1OCCCCCC

Peso molecolare

278.43

Reaxy-Rn

2119294

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2119294&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Alkyl aryl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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

• Indice di rifrazione: n20/D 1.488 (lit.)
• Punto di infiammabilità (°F): Not applicable
• Punto di infiammabilità (°C): Not applicable
• Punto di ebollizione (°C): 143℃/4mmHg (lit.)
• Peso molecolare: 278.400 g/mol
• XLogP3: 6.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 12
• Exact Mass: 278.225 Da
• Monoisotopic Mass: 278.225 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 184.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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

The CAS Number is 94259-20-8, the molecular formula is C18H30O2, and the molecular weight is 278.43 g/mol. InChIKey XNBVDORAKLGCKG-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.