Basic information
- CAS
87776-80-5- Standard SMILES
Cc1ccc(CCO)cc1C- InChIKey
WJOJFYXMOJHANU-UHFFFAOYSA-N- Molecular formula
- C10H14O
- Average molar mass
- 150.22 g/mol
- Monoisotopic mass
- 150.10446507
Names & identifiers
- Preferred name
- 2-(3,4-Dimethylphenyl)ethanol
- IUPAC
- 2-(3,4-dimethylphenyl)ethanol
- English name
- 2-(3,4-DIMETHYLPHENYL)ETHANOL
- Molecular formula
- C10H14O
- Molecular weight
- 150.22
Names & synonyms
2-(3,4-dimethylphenyl)ethanol87776-80-52-(3,4-dimethylphenyl)ethan-1-ol3,4-dimethylphenethyl alcoholMFCD09926178SCHEMBL6301819SCHEMBL9025862DTXSID30275087WJOJFYXMOJHANU-UHFFFAOYSA-NAKOS011827996SB84879CS-0281604
Show more names
Benzeneethanol, 3,4-dimethyl-
EN300-103103F398697
Database identifiers
- CAS
87776-80-5- PubChem CID
- 33943
- DTXSID
DTXSID30275087
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
- 109 · 109-110 °C(Press: 3 Torr)
- Density
- 0.993 g/cm3 · 0.993 g/cm3(Temp: 23 °C)
- pka
- 14.98 · 14.98±0.10(Predicted)
Chemistry & industry
Suppliers6 total
湖北扬信医药科技有限公司15347293736 · [email protected]
阳谷荣科商贸有限公司15863541132 · [email protected]
上海韵浦实业有限公司21-61726900 15202122459 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
山东煜昌药业有限公司531-87153728 13805401165 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
2 records
Compound notes
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