Basic information
- Standard SMILES
Cc1ccc(C(C)C)c(OC(=O)Oc2cc(C)ccc2C(C)C)c1- InChIKey
BZNOBTGZGLOUCO-UHFFFAOYSA-N- Molecular formula
- C21H26O3
- Average molar mass
- 326.4 g/mol
- Monoisotopic mass
- 326.18819469
Names & identifiers
- Preferred name
- Thymol carbonate
- IUPAC
- bis(5-methyl-2-propan-2-ylphenyl) carbonate
- English name
- Carbonate
- Molecular formula
- C21H26O3
- Molecular weight
- 326.43
Names & synonyms
Thymol carbonateThymotalTyratolThymol, carbonateThymol carbonate [MI]Carbonic acid, dithymyl esterUNII-CM22UKA2YQCM22UKA2YQ552-93-2Phenol, 5-methyl-2-(1-methylethyl)-, carbonate (2:1)DTXSID20203697RefChem:189866
Show more names
CarbonateCarbonic acid dianionPhenol, 5-methyl-2-(1-methylethyl)-, carbonate (2:1) (9CI)
DTXCID50126188SCHEMBL18668839Bis[5-methyl-2-(propan-2-yl)phenyl] carbonateQ27275526
Database identifiers
- CAS
552-93-2- PubChem CID
- 71306416
- DTXSID
DTXSID20203697- UNII
- CM22UKA2YQ
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 368
Physicochemical properties
- Melting point
- 49 ° · 49°
- Boiling point
- 421.3 · 421.3±45.0 °C(Predicted)
- Density
- 1.047 · 1.047±0.06 g/cm3(Predicted)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 22 UKA2YQ · CM22UKA2YQ
Chemistry & industry
Applications
UsesFor destroying mold; preserving documents, art objects and urine. Stabilizer (antioxidant) for trichloroethylene, halothane.
Suppliers1 total
山东彬睿特新材料有限公司0533-2866658 15615638350 · [email protected]
Additional notes
DefinitionA salt of carbonic acid (containing the ion CO32-).
Related reactions
0 records
No reaction records under the current filter.
Linked notes
Loading…