CAS 70067-75-3 Methyl 2-(4-hydroxyphenoxy)acetate (HCID 602731)

Substructure search Find similar structures

Basic information

CAS: 70067-75-3
Standard SMILES: COC(=O)COc1ccc(O)cc1
InChIKey: OITXOTZGDJLEBU-UHFFFAOYSA-N
Molecular formula: C9H10O4
Average molar mass: 182.17 g/mol
Monoisotopic mass: 182.0579088

Names & identifiers

Preferred name: Methyl 2-(4-hydroxyphenoxy)acetate
IUPAC: methyl 2-(4-hydroxyphenoxy)acetate
English name: Methyl 2-(4-hydroxyphenoxy)acetate
Molecular formula: C9H10O4
Molecular weight: 182.17

Names & synonyms

methyl 2-(4-hydroxyphenoxy)acetate70067-75-3DTXSID40345220RefChem:353854DTXCID50296294857-903-5MFCD11046458Methyl (4-hydroxyphenoxy)acetatemethyl 4-hydroxyphenoxyacetateCHEMBL47406(4-Hydroxy-phenoxy)-acetic acid methyl esterAcetic acid, (4-hydroxyphenoxy)-, methyl ester

Show more names

Acetic acid, 2-(4-hydroxyphenoxy)-, methyl ester

SCHEMBL197602SCHEMBL7693991methyl2-(4-hydroxyphenoxy)acetateMethyl (4-hydroxy-phenoxy)-acetateMethyl (4-hydroxyphenoxy)acetate #VCA06775BDBM50114879SBB089882

Database identifiers

CAS: 70067-75-3
PubChem CID: 602731
DTXSID: DTXSID40345220
ChEMBL: CHEMBL47406
EC Number: 857-903-5
Nikkaji: J1.747.481B

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 55.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 13
Formal charge: 0
Complexity: 161

Physicochemical properties

Boiling point: 307.8 · 307.8±17.0 °C(Predicted)
Density: 1.227 · 1.227±0.06 g/cm3(Predicted)
pka: 10.07 · 10.07±0.15(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H335-H319-H302
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
HazardClass: IRRITANT
HS Code: 2918999090 · 2918999090

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)

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%)

Safety data

hs_code: 2918999090
Signal word: Warning
Symbol(GHS): GHS07
hazard_class: IRRITANT
Hazard statements: H315-H335-H319-H302
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P