Methyl 4-(benzyloxy)-2-hydroxybenzoate
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Basic information
- CAS
5427-29-2- 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 propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 55.8 Ų
- 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
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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).
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
33 records
Compound notes
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