2-Ethylbenzyl alcohol - ≥98% , CAS No.767-90-8

CAS: 767-90-8 Cat. No.: E337904 分子式: C₉H₁₂O 分子量: 136.19 EC番号: 196-180-4

GRADE & PURITY ≥98%

Synonyms

AKOS011703172 | 12M | Benzenemethanol, 2-ethyl- | SY120941 | 2-Ethylbenzyl alcohol | 2-Ethylbenzyl alcohol, 98% | DS-7398 | EN300-156171 | DTXSID20411371 | Q27451635 | 2-ethylbenzylalcohol | (2-ETHYLPHENYL)METHANOL | (2-ethyl-phenyl)-methanol | 2-ETHYLBEN

Storage

Room temperature

Shipped In

Normal

概要

2-Ethylbenzyl alcohol is a benzyl alcohol derivative. Kinetic studies show that the reaction is first-order in both alcohol and oxidant" and forms"corresponding benzaldehydes in acetonitrile and water.

Application：

2-Ethylbenzyl alcohol may be used to synthesize 2-ethylbenzyl chloride.

Specifications

同義語

AKOS011703172 | 12M | Benzenemethanol, 2-ethyl- | SY120941 | 2-Ethylbenzyl alcohol | 2-Ethylbenzyl alcohol, 98% | DS-7398 | EN300-156171 | DTXSID20411371 | Q27451635 | 2-ethylbenzylalcohol | (2-ETHYLPHENYL)METHANOL | (2-ethyl-phenyl)-methanol | 2-ETHYLBEN

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

純度

≥98%

名前と識別子

パブケム・シド

488195168

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488195168

カノニカル・スマイル

CCC1=CC=CC=C1CO

IUPAC Name

(2-ethylphenyl)methanol

InChIKey

SBUIQTMDIOLKAL-UHFFFAOYSA-N

INCHI

1S/C9H12O/c1-2-8-5-3-4-6-9(8)7-10/h3-6,10H,2,7H2,1H3

異性体SMILES

CCC1=CC=CC=C1CO

分子量

136.19

Reaxy-Rn

2516246

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2516246&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Benzyl alcohols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Benzyl alcohols
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyl alcohols
• Alternative Parents: Primary alcohols Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyl alcohol - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as benzyl alcohols. These are organic compounds containing the phenylmethanol substructure.
• 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

作用メカニズム

化学的性質と物理的性質

• 屈折率: 1.536 (lit.)
• 分子量: 136.190 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 136.089 Da
• Monoisotopic Mass: 136.089 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 90.700
• 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 are the CAS number, molecular formula and molecular weight?

The CAS Number is 767-90-8, the molecular formula is C9H12O, and the molecular weight is 136.19 g/mol. InChIKey SBUIQTMDIOLKAL-UHFFFAOYSA-N.

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.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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.