Basic information
- CAS
6161-67-7- Standard SMILES
CCc1cc(O)ccc1C- InChIKey
BTRPJOHXPQOVLS-UHFFFAOYSA-N- Molecular formula
- C9H12O
- Average molar mass
- 136.19 g/mol
- Monoisotopic mass
- 136.088815
Overview
3-Ethyl-4-methylphenol is a hydroxytoluene.
Names & identifiers
- Preferred name
- 3-Ethyl-p-cresol
- IUPAC
- 3-ethyl-4-methylphenol
- English name
- 3-ethyl-p-cresol
- Molecular formula
- C9H12O
- Molecular weight
- 136.19098
Names & synonyms
3-ethyl-4-methylphenol3-Ethyl-p-cresolUNII-Y51U5VJR2AEINECS 228-189-7Y51U5VJR2ADTXSID60210628RefChem:93845DTXCID90133119228-189-76161-67-73-ethyl-4-methyl-phenol3-Ethyl-p-cresol, 8CI
Show more names
Phenol, 3-ethyl-4-methyl-
SCHEMBL2015021SCHEMBL2774334SCHEMBL8022916SCHEMBL31305638BTRPJOHXPQOVLS-UHFFFAOYSA-NCHEBI:196444MB23722NS00034748
Database identifiers
- CAS
6161-67-7- PubChem CID
- 80267
- DTXSID
DTXSID60210628- ChEBI
CHEBI:196444- UNII
- Y51U5VJR2A
- EC Number
- 228-189-7
- Nikkaji
- J211.428C
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 101
Experimental & physicochemical properties
Melting Point35 - 36 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 33 °C · 33°C
- Boiling point
- 236 °C · 236°C
- Density
- 0.9809 · 0.9809 (estimate)
- refractive index
- 1.5116 · 1.5116 (estimate)
- pka
- 10.37 · 10.37±0.18(Predicted)
- FDA UNII
- 51 U5VJR2A · Y51U5VJR2A
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Upstream & downstream products
Upstream raw materials
Suppliers5 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [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]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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