Basic information
- CAS
936-89-0- Standard SMILES
CCc1ccc(O)c(CC)c1- InChIKey
LMLAXOBGXCTWBJ-UHFFFAOYSA-N- Molecular formula
- C10H14O
- Average molar mass
- 150.22 g/mol
- Monoisotopic mass
- 150.10446507
Names & identifiers
- Preferred name
- 2,4-Diethylphenol
- IUPAC
- 2,4-diethylphenol
- English name
- 2,4-diethylphenol
- Molecular formula
- C10H14O
- Molecular weight
- 150.22
Names & synonyms
2,4-Diethylphenol936-89-0Phenol, 2,4-diethyl-EINECS 213-318-1Z6WH316PFWUNII-Z6WH316PFWDTXSID70239481RefChem:82412DTXCID90161972213-318-1SCHEMBL1021944SCHEMBL2863264
Show more names
SCHEMBL28865363SCHEMBL29106714LMLAXOBGXCTWBJ-UHFFFAOYSA-NAKOS016344449MB23888NS00039581
Database identifiers
- CAS
936-89-0- PubChem CID
- 70296
- DTXSID
DTXSID70239481- UNII
- Z6WH316PFW
- EC Number
- 213-318-1
- Nikkaji
- J141.397J
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
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- 46.81 °C · 46.81°C (estimate)
- Boiling point
- 228 °C · 228°C
- Density
- 0.9688 · 0.9688 (estimate)
- refractive index
- 1.5133 · 1.5133 (estimate)
- pka
- 10.61 · 10.61±0.18(Predicted)
- FDA UNII
- 6 WH316PFW · Z6WH316PFW
Chemistry & industry
Suppliers5 total
杭州六可生物科技有限公司+86-0571-86912261 +86-15658003402 · [email protected]
南京协诺生物技术有限公司025-84112752 13805181430 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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