Ethyl 3-hydroxy-3-(3-hydroxyphenyl)butanoate
Basic information
- CAS
1249059-47-9- Standard SMILES
CCOC(=O)CC(C)(O)c1cccc(O)c1- InChIKey
ORUYRGYWTBCGMB-UHFFFAOYSA-N- Molecular formula
- C12H16O4
- Average molar mass
- 224.25 g/mol
- Monoisotopic mass
- 224.10485899
Names & identifiers
- Preferred name
- Ethyl 3-hydroxy-3-(3-hydroxyphenyl)butanoate
- IUPAC
- ethyl 3-hydroxy-3-(3-hydroxyphenyl)butanoate
Names & synonyms
ethyl 3-hydroxy-3-(3-hydroxyphenyl)butanoate1249059-47-9RefChem:594973895-403-9ZZB05947AKOS011680244CS-0263262ethyl3-hydroxy-3-(3-hydroxyphenyl)butanoateEN300-85811Z982131356
Database identifiers
- CAS
1249059-47-9- PubChem CID
- 54595243
- EC Number
- 895-403-9
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 241
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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