Basic information
- CAS
13990-86-8- Standard SMILES
COc1cc(C)cc(-c2cc(C)cc(OC)c2O)c1O- InChIKey
QXKAEQCGFVTAMN-UHFFFAOYSA-N- Molecular formula
- C16H18O4
- Average molar mass
- 274.31 g/mol
- Monoisotopic mass
- 274.12050905
Names & identifiers
- Preferred name
- Dimethoxy di-p-cresol
- IUPAC
- 2-(2-hydroxy-3-methoxy-5-methylphenyl)-6-methoxy-4-methylphenol
- English name
- DIMETHOXY DI-p-CRESOL
- Molecular formula
- C16H18O4
- Molecular weight
- 274.31
Names & synonyms
Dimethoxy di-p-cresol13990-86-83,3'-dimethoxy-5,5'-dimethyl-[1,1'-biphenyl]-2,2'-diol3,3'-dimethoxy-5,5'-dimethylbiphenyl-2,2'-diol2-(2-hydroxy-3-methoxy-5-methylphenyl)-6-methoxy-4-methylphenol9799E271ZL(1,1'-Biphenyl)-2,2'-diol, 3,3'-dimethoxy-5,5'-dimethyl-[1,1'-Biphenyl]-2,2'-diol, 3,3'-dimethoxy-5,5'-dimethyl-3,3-dimethoxy-5,5-dimethylbiphenyl-2,2-diolDehydrodicresolUNII-9799E271ZLSCHEMBL7520392
Show more names
1,1'-Biphenyl]-2,2'-diol, 3,3'-dimethoxy-5,5'-dimethyl-
QXKAEQCGFVTAMN-UHFFFAOYSA-DTXSID30161193DDC (DIMETHOXY DI-P-CRESOL)MFCD00155170AKOS024257894AS-70060DB-127108CS-0359658
Database identifiers
- CAS
13990-86-8- PubChem CID
- 166971
- DTXSID
DTXSID30161193- UNII
- 9799E271ZL
- Nikkaji
- J656.392I
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 279
Physicochemical properties
- Melting point
- 133 · 133-135 °C
- Boiling point
- 383.9 · 383.9±37.0 °C(Predicted)
- Density
- 1.181 · 1.181±0.06 g/cm3(Predicted)
- pka
- 9.28 · 9.28±0.48(Predicted)
- Cosmetics Ingredients Functions
- SKIN CONDITIONINGANTIOXIDANT
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 9799 E271ZL · 9799E271ZL
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers4 total
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
郑州阿尔法化工有限公司0371-53778726 18003825608 · [email protected]
上海诚合医药科技有限公司021-021-54382182 18601603956 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Related reactions
2 records
Compound notes
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