Methyl (2-hydroxyphenyl)acetate

HCID 89719

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Basic information

CAS: 22446-37-3
Standard SMILES: COC(=O)Cc1ccccc1O
InChIKey: BVBSGGBDFJUSIH-UHFFFAOYSA-N
Molecular formula: C9H10O3
Average molar mass: 166.17 g/mol
Monoisotopic mass: 166.06299418

Overview

Methyl (2-hydroxyphenyl)acetate is a member of phenols.

Names & identifiers

Preferred name: Methyl (2-hydroxyphenyl)acetate
IUPAC: methyl 2-(2-hydroxyphenyl)acetate
English name: (2-HYDROXY-PHENYL)-ACETIC ACID METHYL ESTER
Molecular formula: C9H10O3
Molecular weight: 166.17

Names & synonyms

22446-37-3Methyl (2-hydroxyphenyl)acetateEINECS 245-004-5DTXSID30176989RefChem:811936DTXCID1099480245-004-5Methyl 2-(2-hydroxyphenyl)acetate(2-Hydroxy-phenyl)-acetic acid methyl ester2-Hydroxy-benzeneacetic acid methyl esterBenzeneacetic acid, 2-hydroxy-, methyl estermethyl 2-hydroxyphenylacetate

Show more names

Methyl o-hydroxyphenylacetateMethyl 2-hydroxybenzeneacetatevMethyl 2-(2-hydroxyphenyl)acetate2-Hydroxybenzeneacetic acid methyl ester

methyl(2-hydroxyphenyl)acetateMFCD00090077Acetic acid, (o-hydroxyphenyl)-, methyl estero-Hydroxyphenylacetic acid, methyl esterMethyl 2-hydroxyphenyl acetate(2-hydroxyphenyl)acetic acid methyl esterMethyl2-(2-hydroxyphenyl)acetate2-(2-Hydroxyphenyl)acetic Acid Methyl Ester;Methyl (2-Hydroxyphenyl)acetate; Methyl 2-Hydroxybenzeneacetate;Methyl o-Hydroxyphenylacetate;

Database identifiers

CAS: 22446-37-3
PubChem CID: 89719
DTXSID: DTXSID30176989
ChEMBL: CHEMBL450221
ChEBI: CHEBI:180585
EC Number: 245-004-5
Nikkaji: J127.889D

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 156

Physicochemical properties

Melting point: 122 · 122-124℃
Boiling point: 115 · 115-120℃ (0.3 Torr)
Density: 1.181 · 1.181±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
solubility: Chloroform, Methanol (Slightly)
form: Solid
pka: 9.55 · 9.55±0.30(Predicted)
color: Off-White to Light Brown
InChI: InChI=1S/C9H10O3/c1-12-9(11)6-7-4-2-3-5-8(7)10/h2-5,10H,6H2,1H3
InChIKey: BVBSGGBDFJUSIH-UHFFFAOYSA-N
SMILES: C1(CC(OC)=O)=CC=CC=C1O
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 271 · P271-P261-P280
HS Code: 2916399090 · 2916399090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.