Basic information
- CAS
1548835-38-6- Standard SMILES
CC(C)(C)C(CCc1ccccc1)C(=O)O- InChIKey
MIBRENCLUDWZDQ-UHFFFAOYSA-N- Molecular formula
- C14H20O2
- Average molar mass
- 220.31 g/mol
- Monoisotopic mass
- 220.14632988
Names & identifiers
- Preferred name
- 3,3-Dimethyl-2-(2-phenylethyl)butanoic acid
- IUPAC
- 3,3-dimethyl-2-(2-phenylethyl)butanoic acid
Names & synonyms
3,3-dimethyl-2-(2-phenylethyl)butanoic acid1548835-38-6RefChem:485495896-015-23,3-dimethyl-2-(2-phenylethyl)butanoicacidSCHEMBL13481207AKOS021458481EN300-7551542Z1580513389
Database identifiers
- CAS
1548835-38-6- PubChem CID
- 59123789
- EC Number
- 896-015-2
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 221
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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