2-(Phenylthio)ethanol - ≥98% , CAS No.699-12-7

CAS: 699-12-7 Cat. No.: P101545 Formula: C₈H₁₀OS Peso molecolare: 154.23 Beilstein Registry Number: 1860057 Numero EC: 211-828-9

GRADE & PURITY ≥98%

Synonyms

Z149157348 | D83749 | InChI=1/C8H10OS/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2 | 2-Phenylmercaptoethanol | DTXSID1046974 | Phenylthioethanol | 2-hydroxyethylphenylsulfide | 2-hydroxyethyl-phenylsulfide | beta-phenylthioethylalcohol | Q-200147 | 2-Hydroxyethy

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

Z149157348 | D83749 | InChI=1/C8H10OS/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2 | 2-Phenylmercaptoethanol | DTXSID1046974 | Phenylthioethanol | 2-hydroxyethylphenylsulfide | 2-hydroxyethyl-phenylsulfide | beta-phenylthioethylalcohol | Q-200147 | 2-Hydroxyethy

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 488184384
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184384
• Sorrisi canonici: C1=CC=C(C=C1)SCCO
• IUPAC Name: 2-phenylsulfanylethanol
• InChIKey: KWWZHCSQVRVQGF-UHFFFAOYSA-N
• INCHI: 1S/C8H10OS/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2
• Isomeri SMILES: C1=CC=C(C=C1)SCCO
• WGK Germania: 3
• Peso molecolare: 154.23
• Beilstein: 1860057
• Reaxy-Rn: 1860057
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1860057&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Classe Thioethers
      • Subclass Aryl thioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Classe: Thioethers
• Subclass: Aryl thioethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Aryl thioethers
• Alternative Parents: Thiophenol ethers Alkylarylthioethers Benzene and substituted derivatives Sulfenyl compounds Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aryl thioether - Thiophenol ether - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - Sulfenyl compound - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group.
• 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

• Sensibilità: Air Sensitive
• Indice di rifrazione: 1.59
• Punto di infiammabilità (°F): 235.4 °F
• Punto di infiammabilità (°C): 113 °C
• Punto di ebollizione (°C): 275 °C
• Peso molecolare: 154.230 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 154.045 Da
• Monoisotopic Mass: 154.045 Da
• Topological Polar Surface Area: 45.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 79.300
• 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.

How is this product shipped?

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

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

The CAS Number is 699-12-7, the molecular formula is C8H10OS, and the molecular weight is 154.23 g/mol. InChIKey KWWZHCSQVRVQGF-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.