3-Hydroxy-3-phenylpentanoic acid
Basic information
- CAS
13278-26-7- Standard SMILES
CCC(O)(CC(=O)O)c1ccccc1- InChIKey
AABQFWMUVKJALN-UHFFFAOYSA-N- Molecular formula
- C11H14O3
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.0942943
Names & identifiers
- Preferred name
- 3-Hydroxy-3-phenylpentanoic acid
- IUPAC
- 3-hydroxy-3-phenylpentanoic acid
- English name
- Benzenepropanoic acid, b-ethyl-b-hydroxy-
- Molecular formula
- C11H14O3
- Molecular weight
- 194.23
Names & synonyms
3-Hydroxy-3-phenylpentanoic acid13278-26-7DTXSID10304920RefChem:502379DTXCID10256051999-881-03-Hydroxy-3-phenylvaleric acidNSC168216SCHEMBL2957423-Hydroxy-3-phenylpentanoicacidAABQFWMUVKJALN-UHFFFAOYSA-NNAA27826
Show more names
Benzenepropanoic acid, β-ethyl-β-hydroxy-Benzenepropanoic acid, b-ethyl-b-hydroxy-
3-Hydroxy-3-phenylpentanoic acid #AKOS011681908NSC-168216CS-0242567EN300-252020G51638Z982131910
Database identifiers
- CAS
13278-26-7- PubChem CID
- 297250
- DTXSID
DTXSID10304920- EC Number
- 999-881-0
- Nikkaji
- J1.402.721A
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 197
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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