2-Hydroxyethylmesitylene
Completing data — refresh the page later to see the latest
Basic information
- CAS
6950-92-1- Standard SMILES
Cc1cc(C)c(CCO)c(C)c1- InChIKey
FQZPTDPHVFTOSY-UHFFFAOYSA-N- Molecular formula
- C11H16O
- Average molar mass
- 164.24 g/mol
- Monoisotopic mass
- 164.12011513
Names & identifiers
- Preferred name
- 2-Hydroxyethylmesitylene
- IUPAC
- 2-(2,4,6-trimethylphenyl)ethanol
- English name
- 2-MESITYLETHANOL
- Molecular formula
- C11H16O
- Molecular weight
- 164.24
Names & synonyms
2-HydroxyethylmesityleneDTXSID80219739EINECS 230-123-7NSC 65639RefChem:473450DTXCID80142230230-123-72-mesitylethanol6950-92-12-(2,4,6-trimethylphenyl)ethanol2,4,6-TrimethylphenethylalcoholMFCD00020609
Show more names
AURORA KA-70792-Mesitylethano2-Mesitylethanol >4-Methylhex-4-en-2-ol2-HydroxyethylmesitylenBenzeneethanol, 2,4,6-trimethyl-
2-(2,4,6-trimethylphenyl)ethan-1-ol2,4,6-TrimethylbenzeneethanolPW9B824K7A2-Mesitylethan-1-olSCHEMBL5554902,4,6-Trimethylphenethyl Alcohol2-(2,4,6-Trimethylphenyl)-athanolNSC-65639
Database identifiers
- CAS
6950-92-1- PubChem CID
- 81389
- DTXSID
DTXSID80219739- UNII
- PW9B824K7A
- EC Number
- 230-123-7
- Nikkaji
- J265.987E
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 121
Physicochemical properties
- Melting point
- 81 · 81-83 °C
- Boiling point
- 152 °C/15mmHg · 152°C/15mmHg(lit.)
- Density
- 0.9197 · 0.9197 (rough estimate)
- refractive index
- 1.493 · 1.4930 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- pka
- 14.93 · 14.93±0.10(Predicted)
- color
- White to Almost white
- BRN
- 1938400 · 1938400
- FDA UNII
- 9 B824K7A · PW9B824K7A
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 305 · P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2906.29.6000
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 24/25-26
- Hazard statements
- H319
- Precautionary statements
- P305+P351+P338
Related reactions
3 records
Compound notes
Loading…