2-(2,4-Dimethylphenyl)ethanol
Basic information
- CAS
6597-59-7- Standard SMILES
Cc1ccc(CCO)c(C)c1- InChIKey
CRFNQKYHIUVLSQ-UHFFFAOYSA-N- Molecular formula
- C10H14O
- Average molar mass
- 150.22 g/mol
- Monoisotopic mass
- 150.10446507
Names & identifiers
- Preferred name
- 2-(2,4-Dimethylphenyl)ethanol
- IUPAC
- 2-(2,4-dimethylphenyl)ethanol
- English name
- 2,4-Dimethylphenethylalcohol97%
- Molecular formula
- C10H14O
- Molecular weight
- 150.22
Names & synonyms
6597-59-72-(2,4-Dimethylphenyl)ethanol2,4-Dimethylphenethyl alcohol2-(2,4-dimethylphenyl)ethan-1-ol2,4-DIMETHYLPHENETHYLALCOHOLMFCD09753503NSC62108NCIOpen2_003652SCHEMBL3678782SCHEMBL8036416SCHEMBL30585189SCHEMBL30585190
Show more names
2,4-dimethylphenylethanolBenzeneethanol, 2,4-diMethyl-2,4-Dimethylphenethylalcohol97%
DTXSID902895892-(2,4-Dimethylphenyl)ethanol #GAA59759NSC-62108AKOS012096093G58117EN300-1250744F397672
Database identifiers
- CAS
6597-59-7- PubChem CID
- 247478
- DTXSID
DTXSID90289589- Nikkaji
- J1.118.630K
Properties
Computed structural properties
- XLogP
- 2.2
- 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
- Boiling point
- 125 °C · 125 °C(Press: 10 Torr)
- Density
- 0.988 g/cm3 · 0.988 g/cm3(Temp: 26 °C)
- pka
- 14.92 · 14.92±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
1 records
Compound notes
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