Methyl 2-(2-methoxy-2-oxoethyl)benzoate

HCID 253507CAS 716-43-8

Substructure search Find similar structures

Basic information

Standard SMILES: COC(=O)Cc1ccccc1C(=O)OC
InChIKey: ROMWRJNZSHFGEK-UHFFFAOYSA-N
Molecular formula: C11H12O4
Average molar mass: 208.21 g/mol
Monoisotopic mass: 208.07355886

Names & identifiers

Preferred name: Methyl 2-(2-methoxy-2-oxoethyl)benzoate
IUPAC: methyl 2-(2-methoxy-2-oxoethyl)benzoate
English name: methyl 2-(2-methoxy-2-oxoethyl)benzenecarboxylate
Molecular formula: C11H12O4
Molecular weight: 208.21

Names & synonyms

Methyl 2-(2-methoxy-2-oxoethyl)benzoateDTXSID80291570RefChem:813280DTXCID30242714816-617-0716-43-8Methyl 2-(2-methoxy-2-oxoethyl)benzenecarboxylateMFCD11053807Benzeneacetic acid, 2-(methoxycarbonyl)-, methyl esterdimethyl homophthalateNSC76500NCIOpen2_003875

Show more names

(2-methoxy-2-oxoethyl)benzenecarboxylate

SCHEMBL1567249BBL100969NSC-76500SBB094029AKOS005071129SY525818methyl 2-(2-methoxy-2-oxo-ethyl)benzoateCS-0099741

Database identifiers

CAS: 716-43-8
PubChem CID: 253507
DTXSID: DTXSID80291570
EC Number: 816-617-0
Nikkaji: J47.486J

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 52.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 15
Formal charge: 0
Complexity: 237

Physicochemical properties

Melting point: 54.8 · 54.8-56.2 °C
Boiling point: 110 · 110-113 °C(Press: 0.6 Torr)
Density: 1.155 · 1.155±0.06 g/cm3(Predicted)
storage temp.: Store at room temperature
Appearance: White to light yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
HazardClass: IRRITANT
HS Code: 2917399590 · 2917399590

Safety & regulation

GHS classification

GHS Classification · 4 items

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)

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

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2917399590
Signal word: Warning
Symbol(GHS): GHS07
hazard_class: IRRITANT
Hazard statements: H315-H319-H335
Precautionary statements: P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501