Methyl 4-(benzyloxy)-2-hydroxybenzoate

HCID 225489CAS 5427-29-2

Substructure search Find similar structures

Basic information

Standard SMILES: COC(=O)c1ccc(OCc2ccccc2)cc1O
InChIKey: PHYPTZODBQEMJU-UHFFFAOYSA-N
Molecular formula: C15H14O4
Average molar mass: 258.27 g/mol
Monoisotopic mass: 258.08920892

Names & identifiers

Preferred name: Methyl 4-(benzyloxy)-2-hydroxybenzoate
IUPAC: methyl 2-hydroxy-4-phenylmethoxybenzoate
English name: methyl 2-hydroxy-4-phenylmethoxy-benzoate
Molecular formula: C15H14O4
Molecular weight: 258.27

Names & synonyms

methyl 4-(benzyloxy)-2-hydroxybenzoate5427-29-2DTXSID90279980RefChem:815989DTXCID40231134856-888-2methyl 2-hydroxy-4-phenylmethoxybenzoateMFCD01098916METHYL 2-HYDROXY-4-PHENYLMETHOXY-BENZOATE2-hydroxy-4-(phenylmethoxy)benzoic acid methyl estermethyl 4-benzyloxy-2-hydroxybenzoate4-(Benzyloxy)salicyclic Acid Methyl Ester; 4-Benzyloxy-2-hydroxybenzoic Acid Methyl Ester; Methyl 2-Hydroxy-4-benzyloxybenzoate; Methyl 4-Benzyloxy-2-hydroxybenzoate; NSC 14990;

Show more names

JR-13546, Methyl 4-(benzyloxy)-2-hydroxybenzoate, 95%Benzoic acid, 2-hydroxy-4-(phenylmethoxy)-, methyl esterMETHYL 2-HYDROXY-4-PHENYLMETHOXY-BENZOATEMETHYL 2-HYDROXY-4-PHENYLMETHOXY-BENZOATE

NSC14990SCHEMBL629952PHYPTZODBQEMJU-UHFFFAOYSA-NMethyl 2-hydroxy-4-benzyloxybenzoateNSC-14990AKOS024355319methyl 4-benzyloxy-2-hydroxy-benzoatemethyl4-(benzyloxy)-2-hydroxybenzoate

Database identifiers

CAS: 5427-29-2
PubChem CID: 225489
DTXSID: DTXSID90279980
EC Number: 856-888-2
Nikkaji: J2.452.768I

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 55.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 19
Formal charge: 0
Complexity: 286

Physicochemical properties

Melting point: 102 · 102-104 °C
Boiling point: 404.8 · 404.8±30.0 °C(Predicted)
Density: 1.227 · 1.227±0.06 g/cm3(Predicted)
solubility: Chloroform; Acetone
pka: 9.38 · 9.38±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Applications

Uses2-Hydroxy-4-(phenylmethoxy)benzoic Acid Methyl Ester is an intermediate used in the synthesis of 4-Hydroxy Flecainide (H942485), which is an analogue of Flecainide (F390000).