Basic information
- CAS
25140-93-6- Standard SMILES
CC(Oc1cccc(C(C)C)c1)C(=O)O- InChIKey
IGTSFDFHCYFQCS-UHFFFAOYSA-N- Molecular formula
- C12H16O3
- Average molar mass
- 208.25 g/mol
- Monoisotopic mass
- 208.10994437
Names & identifiers
- Preferred name
- 2-(3-(Propan-2-yl)phenoxy)propanoic acid
- IUPAC
- 2-(3-propan-2-ylphenoxy)propanoic acid
Names & synonyms
2-[3-(propan-2-yl)phenoxy]propanoic acid2-[3-(1-Methylethyl)phenoxy]propanoic acid2-(3-(Propan-2-yl)phenoxy)propanoic acid2-(3-(1-Methylethyl)phenoxy)propanoic acidRefChem:455007993-534-725140-93-62-(3-propan-2-ylphenoxy)propanoic acid2-(3-ISOPROPYLPHENOXY)PROPANOIC ACIDSCHEMBL233545SCHEMBL30234110IGTSFDFHCYFQCS-UHFFFAOYSA-N
Show more names
DTXSID801265512ABA140932-(3-isopropylphenoxy)propionic acidAKOS000132982AKOS0241361802-[3-(propan-2-yl)phenoxy]propanoicacidDA-28426EN300-45017
Database identifiers
- CAS
25140-93-6- PubChem CID
- 16228010
- DTXSID
DTXSID801265512- EC Number
- 993-534-7
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 213
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
1 records
Compound notes
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