1-(2,6-Dimethylphenyl)ethanol
Completing data — refresh the page later to see the latest
Basic information
- CAS
19447-06-4- Standard SMILES
Cc1cccc(C)c1C(C)O- InChIKey
BFLGMBBJIHKTAY-UHFFFAOYSA-N- Molecular formula
- C10H14O
- Average molar mass
- 150.22 g/mol
- Monoisotopic mass
- 150.10446507
Names & identifiers
- Preferred name
- 1-(2,6-Dimethylphenyl)ethanol
- IUPAC
- 1-(2,6-dimethylphenyl)ethanol
- English name
- alpha,2,6-trimethylbenzyl alcohol
- Molecular formula
- C10H14O
- Molecular weight
- 150.21756
Names & synonyms
1-(2,6-dimethylphenyl)ethanol19447-06-41-(2,6-dimethylphenyl)ethan-1-olalpha,2,6-Trimethylbenzyl alcoholPBT54Z6XPTEINECS 243-074-1Benzenemethanol, a,2,6-trimethyl-MFCD00016856UNII-PBT54Z6XPTSCHEMBL578005SCHEMBL8036283DTXSID20941183
Show more names
Medetomidine Impurity 84Dexmedetomidine impurity 62?,2,6-trimethylbenzyl alcoholα,2,6-Trimethylbenzenemethanolα,2,6-TrimethylbenzenemethanolBenzenemethanol, α,2,6-trimethyl-
2,6-Dimethyl-?-methylbenzyl alcoholAKOS006281035FD70709SB85071DB-190243NS00049085EN300-122863Z1198147557
Database identifiers
- CAS
19447-06-4- PubChem CID
- 86877
- DTXSID
DTXSID20941183- UNII
- PBT54Z6XPT
- EC Number
- 243-074-1
- Nikkaji
- J242.819I
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 112
Physicochemical properties
- Melting point
- 68.5 · 68.5-69.5 °C(Solv: ligroine (8032-32-4))
- Boiling point
- 115 · 115-117 °C(Press: 10 Torr)
- Density
- 0.981 · 0.981±0.06 g/cm3(Predicted)
- pka
- 14.44 · 14.44±0.20(Predicted)
- FDA UNII
- 54 Z6XPT · PBT54Z6XPT
- 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
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…