CAS 7768-28-7 2-(2-Hydroxyethyl)phenol (HCID 82200)

Overview

2-(2-hydroxyphenyl)ethanol is a phenol that is 2-phenylethanol in which the phenyl ring is substituted at position 2 by a hydroxy group. It has a role as a metabolite. It is functionally related to a 2-phenylethanol.

Names & identifiers

Preferred name: 2-(2-Hydroxyethyl)phenol
IUPAC: 2-(2-hydroxyethyl)phenol
English name: 2-Hydroxyphenethyl alcohol
Molecular formula: C8H10O2
Molecular weight: 138.16

Names & synonyms

2-(2-Hydroxyethyl)phenol7768-28-72-(2-Hydroxyphenyl)ethanol2-Hydroxyphenylethanol2-Hydroxybenzeneethanolo-hydroxyphenylethanolC6AV79GN9FNSC-101845CHEBI:64803DTXSID90228312oHPERefChem:453965

Show more names

DTXCID10150803231-863-32-Hydroxyphenethyl alcoholBenzeneethanol, 2-hydroxy-MFCD00002890o-(2-Hydroxyethyl)phenol2-(o-Hydroxyphenyl)ethanolo-Hydroxyphenethyl alcohol

Database identifiers

CAS: 7768-28-7
PubChem CID: 82200
DTXSID: DTXSID90228312
ChEMBL: CHEMBL4075005
ChEBI: CHEBI:64803
UNII: C6AV79GN9F
EC Number: 231-863-3
Nikkaji: J28.495E

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 93.3

Physicochemical properties

Boiling point: 168 · 168-169 °C2 mm Hg(lit.)
Density: 1.159 g/mL · 1.159 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.559(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
solubility: Chloroform, DMSO (Slightly), Methanol (Slightly)
pka: 10.24 · 10.24±0.30(Predicted)
form: Viscous Liquid
color: Clear yellow to yellow-brownish
Stability: Light Sensitive
InChI: InChI=1S/C8H10O2/c9-6-5-7-3-1-2-4-8(7)10/h1-4,9-10H,5-6H2
InChIKey: ABFCOJLLBHXNOU-UHFFFAOYSA-N
SMILES: C1(CCO)=CC=CC=C1O
LogP: 1.31 · 1.310 (est)
FDA UNII: 6 AV79GN9F · C6AV79GN9F
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H318
Precautionary statements: 280 · P280-P305+P351+P338
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xn,Xi
Risk Statements: 22 · 22-41-36/37/38
Safety Statements: 26 · 26-37/39-36
WGK Germany: 2 · 2
HS Code: 29072990 · 29072990
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Dam. 1
REACH Registrations: Inactive

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 18-05-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/22844

Hazard Classes and CategoriesAcute Tox. 4 (97.7%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 2
hs_code: 29072990
risk_code: 22-41-36/37/38
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: Xn,Xi
safety_code: 26-37/39-36
Storage Class: 10 - Combustible liquids
Hazard statements: H302-H318
REACH Registrations: Inactive
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Applications · 2 items

Uses2-Hydroxybenzeneethanol can be used to synthesize cyclic products and organoaluminim oligomers. Inelastic electron tunnelling spectra of 2-hydroxyphenethyl alcohol adsorbed on thin-film aluminium and magnesium oxide has been investigated.

General Description2-Hydroxyphenethyl alcohol reacts with triethyl or trimethyl aluminium to yield cyclic products and organoaluminim oligomers. Inelastic electron tunnelling spectra of 2-hydroxyphenethyl alcohol adsorbed on thin-film aluminium and magnesium oxide has been investigated.