Methyl 5-hydroxy-2-methoxybenzoate

HCID 592162

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Basic information

CAS: 87513-63-1
Standard SMILES: COC(=O)c1cc(O)ccc1OC
InChIKey: ZKVWSXCKPJLMRC-UHFFFAOYSA-N
Molecular formula: C9H10O4
Average molar mass: 182.17 g/mol
Monoisotopic mass: 182.0579088

Names & identifiers

Preferred name: Methyl 5-hydroxy-2-methoxybenzoate
IUPAC: methyl 5-hydroxy-2-methoxybenzoate
English name: methyl 5-hydroxy-2-methoxybenzoate
Molecular formula: C9H10O4
Molecular weight: 182.17

Names & synonyms

Methyl 5-hydroxy-2-methoxybenzoate87513-63-1DTXSID20343784RefChem:157687DTXCID00294861Benzoic acid, 5-hydroxy-2-methoxy-, methyl esterMFCD01940408SCHEMBL7619139CHEMBL2252124SCHEMBL31009365Methyl5-hydroxy-2-methoxybenzoatemethyl 2-methoxy-5-hydroxybenzoate

Show more names

methyl 5-hydroxy-2-methoxy-benzoateAKOS006278511Methyl 5-hydroxy-2-methoxybenzoate #DA-17906CS-0195852E89616AN-907/25060020F633028

Database identifiers

CAS: 87513-63-1
PubChem CID: 592162
DTXSID: DTXSID20343784
ChEMBL: CHEMBL2252124
EC Number: 103-282-4
Nikkaji: J1.398.324K

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 55.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 180

Physicochemical properties

Boiling point: 328.3 · 328.3±22.0 °C(Predicted)
Density: 1.216 · 1.216±0.06 g/cm3(Predicted)
pka: 9 · 9+-.0.18(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.