Basic information
- CAS
111385-66-1- Standard SMILES
Cc1c(C)c(C)c(C(=O)c2ccccc2C(=O)O)c(C)c1C- InChIKey
DQCUMOMIHACOJZ-UHFFFAOYSA-N- Molecular formula
- C19H20O3
- Average molar mass
- 296.4 g/mol
- Monoisotopic mass
- 296.1412445
Names & identifiers
- Preferred name
- 2-(2,3,4,5,6-Pentamethylbenzoyl)benzoic acid
- IUPAC
- 2-(2,3,4,5,6-pentamethylbenzoyl)benzoic acid
- English name
- 2-(2,3,4,5,6-Pentamethylbenzoyl)benzoic acid
- Molecular formula
- C19H20O3
- Molecular weight
- 296.36
Names & synonyms
2-(2,3,4,5,6-pentamethylbenzoyl)benzoic acid111385-66-1DTXSID50352485RefChem:250041DTXCID70303550Benzoic acid,2-(2,3,4,5,6-pentamethylbenzoyl)-MFCD000516292-(Pentamethylbenzoyl)benzoic acidCDS1_000617Maybridge1_002905Oprea1_175485Oprea1_222760
Show more names
2-(Penthamethylbenzoyl)benzoic acid2-(PENTAMETHYLBENZOYL)BENZOIC ACID 98+%2-Carboxy-2,3,4,5,6-pentamethylbenzophenone2-(2,3,4,5,6-Pentamethylbenzoyl)benzoicacid,95%Benzoic acid, 2-(2,3,4,5,6-pentamethylbenzoyl)-2-[oxo-(2,3,4,5,6-pentamethylphenyl)methyl]benzoic acid
DivK1c_001657SCHEMBL5311591HMS549M01AKOS015908496AS-9180CCG-242023ST105613DB-030669
Database identifiers
- CAS
111385-66-1- PubChem CID
- 727751
- DTXSID
DTXSID50352485
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 414
Physicochemical properties
- Melting point
- 282 · 282-284°C
- Boiling point
- 493.3 · 493.3±45.0 °C(Predicted)
- Density
- 1.133 · 1.133±0.06 g/cm3(Predicted)
- pka
- 3.43 · 3.43±0.36(Predicted)
- CAS DataBase Reference
- 111385 · 111385-66-1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- HS Code
- 2918300090 · 2918300090
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
- hs_code
- 2918300090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers4 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…