Methyl 2-methoxy-2-phenylacetate
Basic information
- CAS
3558-61-0- Standard SMILES
COC(=O)C(OC)c1ccccc1- InChIKey
SMHXGVJSDWUGKC-UHFFFAOYSA-N- Molecular formula
- C10H12O3
- Average molar mass
- 180.2 g/mol
- Monoisotopic mass
- 180.07864424
Overview
Acetic acid, methoxyphenyl-, methyl ester is a benzyl ether.
Names & identifiers
- Preferred name
- Methyl 2-methoxy-2-phenylacetate
- IUPAC
- methyl 2-methoxy-2-phenylacetate
- English name
- METHOXY-PHENYL-ACETIC ACID METHYL ESTER
- Molecular formula
- C10H12O3
- Molecular weight
- 180.2
Names & synonyms
methyl 2-methoxy-2-phenylacetateDTXSID10322669RefChem:1089340DTXCID102737883558-61-0Methyl methoxy(phenyl)acetateBenzeneacetic acid, a-methoxy-, methyl esterMETHOXY-PHENYL-ACETIC ACID METHYL ESTERNSC401792SCHEMBL3255039SCHEMBL6334035OSM-S-337
Show more names
Atropine Impurity 25(S)-methyl 2-methoxy-2-phenylacetate2-Methoxy-2-phenylacetic acid methyl esterBenzeneacetic acid, α-methoxy-, methyl ester
methyl 2-phenyl-2-methoxyacetateCHEBI:167327SMHXGVJSDWUGKC-UHFFFAOYSA-Nmethyl 2-methoxy-2-phenyl-acetateMethyl .alpha.-methoxyphenylacetate26164-27-2DAA55861Methoxy-phenyl-acetic acid methyl e
Database identifiers
- CAS
3558-61-0- PubChem CID
- 344720
- DTXSID
DTXSID10322669- ChEBI
CHEBI:167327- EC Number
- 632-222-4
- Nikkaji
- J354.243B
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 162
Physicochemical properties
- Boiling point
- 78 · 78-79 °C(Press: 1 Torr)
- Density
- 1.086 · 1.086±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · 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
H315 (100%): Causes skin irritation [Warning Skin corrosion/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)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Additional notes
DefinitionChEBI: Acetic acid, methoxyphenyl-, methyl ester is a benzyl ether.
Suppliers
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Related reactions
1 records
Compound notes
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