Basic information
- CAS
66142-71-0- Standard SMILES
CCc1cccc(O)c1CC- InChIKey
RLEWTHFVGOXXTN-UHFFFAOYSA-N- Molecular formula
- C10H14O
- Average molar mass
- 150.22 g/mol
- Monoisotopic mass
- 150.10446507
Names & identifiers
- Preferred name
- 2,3-Diethylphenol
- IUPAC
- 2,3-diethylphenol
- English name
- 2,3-Diethylphenol
- Molecular formula
- C10H14O
- Molecular weight
- 150.22
Names & synonyms
2,3-diethylphenolPhenol, 2,3-diethyl-66142-71-01PF22G4TTFUNII-1PF22G4TTFDTXSID80275057RefChem:81631DTXCID40226505DIETHYLPHENOLSCHEMBL186267SCHEMBL707284SCHEMBL7987969
Show more names
SCHEMBL7987973SCHEMBL30116230RLEWTHFVGOXXTN-UHFFFAOYSA-NMB24051
Database identifiers
- CAS
66142-71-0- PubChem CID
- 33659
- DTXSID
DTXSID80275057- UNII
- 1PF22G4TTF
- Nikkaji
- J141.396A
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 111
Physicochemical properties
- Melting point
- 46.81 °C · 46.81°C (estimate)
- Boiling point
- 236.65 °C · 236.65°C (estimate)
- Density
- 0.9688 · 0.9688 (estimate)
- refractive index
- 1.5125 · 1.5125 (estimate)
- pka
- 10.37 · 10.37±0.10(Predicted)
- FDA UNII
- 1 PF22G4TTF · 1PF22G4TTF
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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