Basic information
- CAS
2219-79-6- Standard SMILES
CCc1cc(C)cc(C)c1O- InChIKey
MXHAHSBTOVFDBK-UHFFFAOYSA-N- Molecular formula
- C10H14O
- Average molar mass
- 150.22 g/mol
- Monoisotopic mass
- 150.10446507
Names & identifiers
- Preferred name
- 2-Ethyl-4,6-dimethylphenol
- IUPAC
- 2-ethyl-4,6-dimethylphenol
- English name
- 2,4-dimethyl-6-ethylphenol
- Molecular formula
- C10H14O
- Molecular weight
- 150.21756
Names & synonyms
2-Ethyl-4,6-dimethylphenol2219-79-62,4-Xylenol, 6-ethyl-4,6-Dimethyl-2-ethyl-phenolFH36J57LG1Phenol, 4,6-dimethyl-2-ethyl-UNII-FH36J57LG1RefChem:86898Phenol, 2-ethyl-4,6-dimethyl-SCHEMBL1021767SCHEMBL30576381MXHAHSBTOVFDBK-UHFFFAOYSA-N
Show more names
2,4-dimethyl-6-ethylphenol
DTXSID601311606MFCD22055584
Database identifiers
- CAS
2219-79-6- PubChem CID
- 19086413
- DTXSID
DTXSID601311606- UNII
- FH36J57LG1
- Nikkaji
- J1.243.547I
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 122
Physicochemical properties
- Melting point
- 46.81 °C · 46.81°C (estimate)
- Boiling point
- 227 °C · 227°C
- Density
- 0.9688 · 0.9688 (estimate)
- refractive index
- 1.5135 · 1.5135 (estimate)
- Henry's Law Constant
- 2 · 2.0×100 mol/(m3Pa) at 25℃, Wang et al. (2017)
- FDA UNII
- 36 J57LG1 · FH36J57LG1
Chemistry & industry
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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