2-Methoxyphenyl benzoate
Basic information
- CAS
531-37-3- Standard SMILES
COc1ccccc1OC(=O)c1ccccc1- InChIKey
IZYQCDNLUPLXOO-UHFFFAOYSA-N- Molecular formula
- C14H12O3
- Average molar mass
- 228.24 g/mol
- Monoisotopic mass
- 228.07864424
Overview
Guaiacol benzoate is a carbonyl compound.
Names & identifiers
- Preferred name
- 2-Methoxyphenyl benzoate
- IUPAC
- (2-methoxyphenyl) benzoate
- English name
- 2-Methoxyphenyl benzoate
- Molecular formula
- C14H12O3
- Molecular weight
- 228.24
Names & synonyms
2-Methoxyphenyl benzoateGuaiacol benzoateBenzosolBenzoylguaiacolo-Anisyl benzoateBenzoguaiacolBenzcaineGUAIACYL BENZOATEo-Methoxyphenyl benzoateODW913ZA6PUNII-ODW913ZA6PPhenol, o-methoxy-, benzoate
Show more names
GUIACOL BENZOATEGUAIACOL BENZOATE 99%1-BENZOYLOXY-2-METHOXYBENZENEBenzoicacid2-methoxyphenylester2-methoxyphenylbenzenemacetic acidester
NSC-37952-Methyoxyphenyl benzoateEINECS 208-507-0AI3-10569GUAIACOL BENZOATE [MI]DTXSID90201180NSC 3795PHENOL, 2-METHOXY-, 1-BENZOATE
Database identifiers
- CAS
531-37-3- PubChem CID
- 68272
- DTXSID
DTXSID90201180- ChEBI
CHEBI:134937- UNII
- ODW913ZA6P
- EC Number
- 208-507-0
- Nikkaji
- J74.692D
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- Melting point
- 58 · 58-60°C
- Boiling point
- 330.05 °C · 330.05°C (rough estimate)
- Density
- 1.1727 · 1.1727 (rough estimate)
- refractive index
- 1.5805 · 1.5805 (estimate)
- storage temp.
- Store at room temperature
- form
- Solid
- color
- White to light yellow
- BRN
- 2053178 · 2053178
- LogP
- 2.769 · 2.769 (est)
- CAS DataBase Reference
- 531 · 531-37-3(CAS DataBase Reference)
- FDA UNII
- 913 ZA6P · ODW913ZA6P
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- Safety Statements
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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, 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 Sens. 1 (100%)
Safety data
- hs_code
- 29163100
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Applications
Uses2-Methoxyphenyl benzoate is an active compound[1].
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: Guaiacol benzoate is a carbonyl compound.
Related reactions
9 records
Compound notes
Loading…