4-(2-hydroxyethyl)phenol

• ChemBase ID: 68801
• Molecular Formular: C8H10O2
• Molecular Mass: 138.1638
• Monoisotopic Mass: 138.06807956
• SMILES: C(Cc1ccc(cc1)O)O
• Canonical SMILES: OCCc1ccc(cc1)O
• InChI: InChI=1S/C8H10O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,9-10H,5-6H2
• InChIKey: YCCILVSKPBXVIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-hydroxyethyl)phenol
• IUPAC Traditional name: tyrosol
• Synonyms: p-HPEA; 4-Hydroxyphenethyl alcohol; Tyrosol; 2-(4-Hydroxyphenyl)ethanol; 4-Hydroxyphenethyl alcohol; 4-Hydroxy-benzeneethanol; 2-(4-Hydroxyphenyl)ethyl Alcohol; NSC 59876; 2-(4-Hydroxyphenyl)ethanol; 2-(4-Hydroxyphenyl)ethan-1-ol; 4-Hydroxyphenethyl alcohol 98%; p-Hydroxyphenethyl alcohol; 2-(4-Hydroxyphenyl)ethanol; 4-Hydroxyphenylethanol; Tyrosol; 4-(2-hydroxyethyl)phenol; 4-(2-Hydroxyethyl)phenol; Salidrosol; 4-羟基苯乙醇; 对羟苯基乙醇; 2-(4-羟苯基)乙醇; 2-(4-羟基苯)乙醇

Database IDs

• CAS Number: 501-94-0
• EC Number: 207-930-8
• MDL Number: MFCD00002902
• Beilstein Number: 1859884
• PubChem SID: 24887404; 24851311; 24879912; 162034531
• PubChem CID: 10393
• CHEBI ID: 1879
• CHEMBL: 53566
• Chemspider ID: 9964
• Wikipedia Title: Tyrosol

CALCULATED PROPERTIES

• Acid pKa: 10.204033
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.1909834
• LogD (pH = 7.4): 1.1903143
• Log P: 1.1909919
• Molar Refractivity: 39.6098 cm^3
• Polarizability: 15.152722 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; Methanol
• Apperance: Powder; White to Off-White Solid
• Melting Point: 89-92 °C; 89-92 °C(lit.); 89-92°C; 89-92°C; 90-93 °C; 91–92 °C; 92 - 94°C; 92-94°C
• Boiling Point: 139°C/1mm; 158 °C at 4 Torr
• Hydrophobicity(logP): 0.666

Safety Information

• Storage Condition: Refrigerator
• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37; 26-37/39
• TSCA Listed: false; 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: >99.5% (GC); ≥97.0% (GC); 95%; 95+%; 97%; 98%
• Grade: analytical standard; purum
• Shelf Life: (limited shelf life, expiry date on the label)
• Linear Formula: HOC6H4CH2CH2OH

DETAILS

Sigma Aldrich - 188255

Biochem/physiol Actions
Antioxidant found in olive oil.
Packaging
5, 25 g in glass bottle

Sigma Aldrich - 56105

Biochem/physiol Actions
Antioxidant found in olive oil.

Sigma Aldrich - 79058

Biochem/physiol Actions
Antioxidant found in olive oil.
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. 79058.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.

Toronto Research Chemicals - T947800

Phenolic antioxidant.

REFERENCES

• Perez-Trujillo, M., et al.: J. Agric. Food Chem., 58, 9129 (2010)
• Gregus, P., et al.: J. Pharm. Biomed. Anal., 53, 674 (2010)