2-(2,2-Dimethylpropyl)benzoic acid
Basic information
- CAS
51351-79-2- Standard SMILES
CC(C)(C)Cc1ccccc1C(=O)O- InChIKey
WZPYTOSIMXYFQL-UHFFFAOYSA-N- Molecular formula
- C12H16O2
- Average molar mass
- 192.25 g/mol
- Monoisotopic mass
- 192.11502975
Names & identifiers
- Preferred name
- 2-(2,2-Dimethylpropyl)benzoic acid
- IUPAC
- 2-(2,2-dimethylpropyl)benzoic acid
Names & synonyms
2-(2,2-dimethylpropyl)benzoic acid51351-79-2RefChem:451705979-696-12-neopentylbenzoic acidAE-562/43287101SCHEMBL50487682-(2,2-dimethylpropyl)benzoicacidBCA35179MFCD09260827SBB091468AKOS006330674
Show more names
SY488406CS-0259064EN300-722293G31999Z1198218374
Database identifiers
- CAS
51351-79-2- PubChem CID
- 8167146
- EC Number
- 979-696-1
- Nikkaji
- J559.307G
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 203
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%)
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Related reactions
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Compound notes
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