CAS 39497-06-8 methyl 9H-xanthene-9-carboxylate (HCID 699662)

Substructure search Find similar structures

Basic information

CAS: 39497-06-8
Standard SMILES: COC(=O)C1c2ccccc2Oc2ccccc21
InChIKey: RFHABUQANXJNQS-UHFFFAOYSA-N
Molecular formula: C15H12O3
Average molar mass: 240.25 g/mol
Monoisotopic mass: 240.07864424

Names & identifiers

Preferred name: methyl 9H-xanthene-9-carboxylate
IUPAC: methyl 9H-xanthene-9-carboxylate
English name: Methyl 9H-xanthene-9-carboxylate
Molecular formula: C15H12O3
Molecular weight: 240.25

Names & synonyms

methyl 9H-xanthene-9-carboxylate39497-06-8Methyl xanthanoatemethyl xanthene-9-carboxylateMFCD00100676Xanthene-9-carboxylic acid methyl ester9H-xanthene-9-carboxylic acid methyl esterMaybridge4_003227methyl 9-xanthenecarboxylateMethylxanthene-9-carboxylateOprea1_627505orb3144331

Show more names

Methylxanthene-9-carboxylate,98%Xanthene-9-Carboxylic Methyl ester

SCHEMBL2596509DTXSID20351420RFHABUQANXJNQS-UHFFFAOYSA-NHMS1530C15CS-M2864SBB057848STK424586TYD-03672

Database identifiers

CAS: 39497-06-8
PubChem CID: 699662
DTXSID: DTXSID20351420
EC Number: 809-383-6
Nikkaji: J47.579C

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 18
Formal charge: 0
Complexity: 293

Physicochemical properties

Boiling point: 331.5 · 331.5±41.0 °C(Predicted)
Density: 1.233 · 1.233±0.06 g/cm3(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-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]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.