2-Hydroxy-2-phenylbutanoic acid
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Basic information
- CAS
35468-69-0- Standard SMILES
CCC(O)(C(=O)O)c1ccccc1- InChIKey
QYCBZFRDGXIZIP-UHFFFAOYSA-N- Molecular formula
- C10H12O3
- Average molar mass
- 180.2 g/mol
Names & identifiers
- Preferred name
- 2-Hydroxy-2-phenylbutanoic acid
- IUPAC
- 2-hydroxy-2-phenylbutanoic acid
- English name
- 2-hydroxy-2-phenylbutanoic acid
- Molecular formula
- C10H12O3
- Molecular weight
- 180.20048
Names & synonyms
2-hydroxy-2-phenylbutanoic acidRefChem:473093837-677-435468-69-02-hydroxy-2-phenylbutyric acidNSC147098AethylphenylglykolsaureOprea1_680205SCHEMBL5840282-hydroxy-2-phenylbutanoicacidCHEMBL225253QYCBZFRDGXIZIP-UHFFFAOYSA-N
Show more names
KBA46869MFCD00109290AKOS005362674NSC-147098DB-069856EN300-1663332Z788000464
Database identifiers
- CAS
35468-69-0- PubChem CID
- 287322
- ChEMBL
CHEMBL225253- EC Number
- 837-677-4
- Nikkaji
- J1.832.121A
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 185
Experimental & physicochemical properties
LogP1.37
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
10 records
Compound notes
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