(S)-(+)-1-Phenyl-1,2-ethanediol - ≥98% , CAS No.25779-13-9

CAS: 25779-13-9 Cat. No.: P100519 Formula: C₈H₁₀O₂ Peso molecolare: 138.16 Beilstein Registry Number: 3196197

GRADE & PURITY ≥98%

Synonyms

FD1181 | SCHEMBL1947849 | (S)-(+)-1-Phenyl-1,2-ethanediol | (s)-phenylethane-1,2-diol | BDBM36101 | s-(+)-1-phenyl-1,2-ethanediol | (S)-(+)-Phenylethylene glycol | Q27270578 | (S)-1-PHENYL-2-HYDROXYETHANOL | (S)-(+)-1-Phenyl-1,2-ethanediol, purum, >=98.0%

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

FD1181 | SCHEMBL1947849 | (S)-(+)-1-Phenyl-1,2-ethanediol | (s)-phenylethane-1,2-diol | BDBM36101 | s-(+)-1-phenyl-1,2-ethanediol | (S)-(+)-Phenylethylene glycol | Q27270578 | (S)-1-PHENYL-2-HYDROXYETHANOL | (S)-(+)-1-Phenyl-1,2-ethanediol, purum, >=98.0%

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488190954

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488190954

Sorrisi canonici

C1=CC=C(C=C1)C(CO)O

IUPAC Name

(1S)-1-phenylethane-1,2-diol

InChIKey

PWMWNFMRSKOCEY-MRVPVSSYSA-N

INCHI

1S/C8H10O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8-10H,6H2/t8-/m1/s1

Isomeri SMILES

C1=CC=C(C=C1)[C@@H](CO)O

WGK Germania

3

Peso molecolare

138.16

Beilstein

3196197

Reaxy-Rn

1306723

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1306723&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Secondary alcohols 1,2-diols Primary alcohols Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Secondary alcohol - 1,2-diol - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

• Rotazione specifica [α]: 40 ° (C=3, H2O)
• Punto di infiammabilità (°F): 320 °F
• Punto di infiammabilità (°C): 160℃
• Punto di ebollizione (°C): 272-274°C
• Punto di fusione (°C): 67-68°C
• Peso molecolare: 138.160 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 138.068 Da
• Monoisotopic Mass: 138.068 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 87.300
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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 25779-13-9, the molecular formula is C8H10O2, and the molecular weight is 138.16 g/mol. InChIKey PWMWNFMRSKOCEY-MRVPVSSYSA-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.