Carbonic acid, methyl phenyl ester

HCID 139482

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 13509-27-8
Standard SMILES: COC(=O)Oc1ccccc1
InChIKey: XTBFPVLHGVYOQH-UHFFFAOYSA-N
Molecular formula: C8H8O3
Average molar mass: 152.15 g/mol
Monoisotopic mass: 152.04734412

Names & identifiers

Preferred name: Carbonic acid, methyl phenyl ester
IUPAC: methyl phenyl carbonate
English name: METHYL PHENYL CARBONATE
Molecular formula: C8H8O3
Molecular weight: 152.15

Names & synonyms

13509-27-8Carbonic acid, methyl phenyl esterDTXSID80159247RefChem:1081222DTXCID3081738Methyl phenyl carbonatemethylphenylcarbonateMFCD04039782Phenyl methyl carbonateSCHEMBL29250AKOS028111050DS-19692

Show more names

Benzoyl carbonatePHENYLMETHYL CARBONATECarbonic acid methyl phenylCarbonic acid=methyl=phenyl esterCarbonic acid O-phenyl O-methyl ester

CS-0115513D71100phenyl methoxyformateSCHEMBL306038SCHEMBL2236908SCHEMBL3453964SCHEMBL6972597SY391478

Database identifiers

CAS: 13509-27-8
PubChem CID: 139482
DTXSID: DTXSID80159247
EC Number: 681-147-3
Nikkaji: J32.907J

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 11
Formal charge: 0
Complexity: 127

Physicochemical properties

Melting point: 147 · 147-151 °C
Boiling point: 210 · 210-213℃
Density: 1.5214 g/ml · 1.5214g/ml
refractive index: 1.4985 · 1.4985
storage temp.: Inert atmosphere,Room Temperature
Appearance: Colorless to light yellow Liquid
Stability: Stable. Incompatible with strong oxidizing agents.
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Safety Statements: 22 · 22-24/25

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)

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.