2-(3-Hydroxyphenyl)ethanol - ≥99% , CAS No.13398-94-2

CAS: 13398-94-2 Cat. No.: H167016 Formula: C₈H₁₀O₂ Peso molecolare: 138.16 Numero EC: 236-485-2

GRADE & PURITY ≥99%

Synonyms

J-006463 | 3-Hydroxyphenylmethyl carbinol | SCHEMBL351675 | 2D3F6MU88Z | MFCD00002895 | m-Phenethyl alcohol | Phenethyl alcohol, m-hydroxy- | DTXSID40158438 | InChI=1/C8H10O2/c9-5-4-7-2-1-3-8(10)6-7/h1-3,6,9-10H,4-5H | SY011808 | UNII-2D3F6MU88Z | [3-[2-(

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

J-006463 | 3-Hydroxyphenylmethyl carbinol | SCHEMBL351675 | 2D3F6MU88Z | MFCD00002895 | m-Phenethyl alcohol | Phenethyl alcohol, m-hydroxy- | DTXSID40158438 | InChI=1/C8H10O2/c9-5-4-7-2-1-3-8(10)6-7/h1-3,6,9-10H,4-5H | SY011808 | UNII-2D3F6MU88Z | [3-[2-(

Specifiche e purezza

≥99%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥99%

Nomi e identificatori

Pubchem Sid

488186179

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488186179

Sorrisi canonici

C1=CC(=CC(=C1)O)CCO

IUPAC Name

3-(2-hydroxyethyl)phenol

InChIKey

AMQIPHZFLIDOCB-UHFFFAOYSA-N

INCHI

1S/C8H10O2/c9-5-4-7-2-1-3-8(10)6-7/h1-3,6,9-10H,4-5H2

Isomeri SMILES

C1=CC(=CC(=C1)O)CCO

WGK Germania

3

Peso molecolare

138.16

Reaxy-Rn

2433753

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2433753&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenols
      • Subclass 1-hydroxy-4-unsubstituted benzenoids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: 1-hydroxy-4-unsubstituted benzenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-hydroxy-4-unsubstituted benzenoids
• Alternative Parents: 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - 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 1-hydroxy-4-unsubstituted benzenoids. These are phenols that are unsubstituted at the 4-position.
• 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

Obiettivi associati (umani)

MM96L (154 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Indice di rifrazione: n20/D 1.564(lit.)
• Punto di infiammabilità (°F): 110 °C
• Punto di infiammabilità (°C): 110°C
• Punto di ebollizione (°C): 168-173 °C/4 mmHg(lit.)
• Peso molecolare: 138.160 g/mol
• XLogP3: 1.200
• 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: 93.300
• 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 ≥99% 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 13398-94-2, the molecular formula is C8H10O2, and the molecular weight is 138.16 g/mol. InChIKey AMQIPHZFLIDOCB-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.