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

CAS: 13398-94-2 Cat. No.: H167016 Molecular Weight: 138.16 EC Number: 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

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-(

Specifications & Purity

≥99%

Storage

Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488186179
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186179
• Canonical Smiles: 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
• Isomeric SMILES: C1=CC(=CC(=C1)O)CCO
• WGK Germany: 3
• Molecular Weight: 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
    • Class Phenols
      • Subclass 1-hydroxy-4-unsubstituted benzenoids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Associated Targets(Human)

MM96L (154 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Refractive Index: n20/D 1.564(lit.)
• Flash Point(°F): 110 °C
• Flash Point(°C): 110°C
• Boil Point(°C): 168-173 °C/4 mmHg(lit.)
• Molecular Weight: 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