3-Isopropyl-2-methoxybenzoic acid
Basic information
- CAS
73469-52-0- Standard SMILES
COc1c(C(=O)O)cccc1C(C)C- InChIKey
JXOPHTJUFIRDJI-UHFFFAOYSA-N- Molecular formula
- C11H14O3
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.0942943
Names & identifiers
- Preferred name
- 3-Isopropyl-2-methoxybenzoic acid
- IUPAC
- 2-methoxy-3-propan-2-ylbenzoic acid
- English name
- 3-Isopropyl-2-methoxy-benzoic acid
- Molecular formula
- C11H14O3
- Molecular weight
- 194.23
Names & synonyms
3-Isopropyl-2-methoxybenzoic acid73469-52-03-Isopropyl-2-methoxy-benzoic acid2-methoxy-3-propan-2-ylbenzoic acidSCHEMBL7831533DTXSID00403294GS2756MFCD004743242-methoxy-3-(propan-2-yl)benzoic acidDB-074702H72374Benzoic acid, 2-methoxy-3-(1-methylethyl)-
Database identifiers
- CAS
73469-52-0- PubChem CID
- 4437804
- DTXSID
DTXSID00403294- EC Number
- 181-352-3
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 201
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
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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