Basic information
- CAS
22589-46-4- Standard SMILES
COC(=O)c1ccccc1OCC1CO1- InChIKey
CDNNMNLILHWPMH-UHFFFAOYSA-N- Molecular formula
- C11H12O4
- Average molar mass
- 208.21 g/mol
- Monoisotopic mass
- 208.07355886
Names & identifiers
- Preferred name
- Methyl 2-(oxiran-2-ylmethoxy)benzoate
- IUPAC
- methyl 2-(oxiran-2-ylmethoxy)benzoate
Names & synonyms
22589-46-4methyl 2-(oxiran-2-ylmethoxy)benzoatemethyl 2-[(oxiran-2-yl)methoxy]benzoateNSC 130117NSC1301172-oxiranylmethoxy-benzoic acid methyl esterBenzoic acid,2-(2-oxiranylmethoxy)-, methyl esterSCHEMBL6216333DTXSID70299409CDNNMNLILHWPMH-UHFFFAOYSA-NMethyl2-(oxiran-2-ylmethoxy)benzoateMethyl 2-(2,3-Epoxypropoxy)benzoate
Show more names
NSC-130117DB-308398
Database identifiers
- CAS
22589-46-4- PubChem CID
- 279510
- DTXSID
DTXSID70299409- EC Number
- 185-235-8
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 48.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 229
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P333+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 CategoriesAcute Tox. 4 (100%)
Related reactions
20 records
Compound notes
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