Basic information
- CAS
149190-98-7- Standard SMILES
Cc1cc(C)cc(Oc2ccc(C(=O)O)cc2)c1- InChIKey
LEWICYODYSXXIA-UHFFFAOYSA-N- Molecular formula
- C15H14O3
- Average molar mass
- 242.27 g/mol
- Monoisotopic mass
- 242.0942943
Names & identifiers
- Preferred name
- 4-(3,5-Dimethylphenoxy)benzoic acid
- IUPAC
- 4-(3,5-dimethylphenoxy)benzoic acid
- English name
- 4-(3,5-DIMETHYLPHENOXY)BENZOIC ACID
- Molecular formula
- C15H14O3
- Molecular weight
- 242.27
Names & synonyms
4-(3,5-DIMETHYLPHENOXY)BENZOIC ACID925005-06-7MFCD084469084-(3,5-DIMETHYLPHENOXY)BENZOICACIDSCHEMBL15011469DTXSID30610176AKOS009185966CS-0366297E86089F494041Benzoic acid, 4-(2,4-dimethylphenoxy)-
Database identifiers
- CAS
149190-98-7- PubChem CID
- 20986972
- DTXSID
DTXSID30610176
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 271
Physicochemical properties
- Boiling point
- 380.274 · 380.274±30.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.181 · 1.181±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- Store at Room Tem.
- pka
- 4.359 · 4.359±0.10(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Suppliers5 total
凯试（上海）科技有限公司021-50135380 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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