2-(4-(2,2-Dimethylpropyl)phenyl)acetic acid
Basic information
- CAS
42288-64-2- Standard SMILES
CC(C)(C)Cc1ccc(CC(=O)O)cc1- InChIKey
ALDFGGOEJPJWRE-UHFFFAOYSA-N- Molecular formula
- C13H18O2
- Average molar mass
- 206.28 g/mol
- Monoisotopic mass
- 206.13067981
Names & identifiers
- Preferred name
- 2-(4-(2,2-Dimethylpropyl)phenyl)acetic acid
- IUPAC
- 2-[4-(2,2-dimethylpropyl)phenyl]acetic acid
Names & synonyms
2-[4-(2,2-dimethylpropyl)phenyl]acetic acid42288-64-22-(4-(2,2-Dimethylpropyl)phenyl)acetic acidRefChem:456206990-182-6(4-neopentylphenyl)acetic acidAE-562/43287081SCHEMBL9244144SBB093696
Database identifiers
- CAS
42288-64-2- PubChem CID
- 8167137
- EC Number
- 990-182-6
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 207
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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