Name: 2-MESITYLETHANOL
SKU: 6950-92-1

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Basic Information

Molecular Structure:
CAS No.:	6950-92-1
Name:	2-MESITYLETHANOL
Article Data:	13

Formula:	C₁₁H₁₆O
Molecular Weight:	164.247
Synonyms:	Phenethylalcohol, 2,4,6-trimethyl- (6CI,7CI,8CI);2-Mesitylethanol;NSC 65639;2-(2,4,6-Trimethylphenyl)ethanol;
EINECS:	230-123-7
Density:	0.974 g/cm ³
Melting Point:	81-83 °C
Boiling Point:	290.7 °C at 760 mmHg
Flash Point:	138.4 °C
Appearance:	White mass or fluffy needle
Hazard Symbols:	Xi
Risk Codes:	36
Safety:	24/25
PSA:	20.23000
LogP:	2.14660

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Specification

The Benzeneethanol,2,4,6-trimethyl- with CAS registry number of 6950-92-1 is also known as 2-Hydroxyethylmesitylene. The IUPAC name is 2-(2,4,6-Trimethylphenyl)ethanol. Its EINECS registry number is 230-123-7. In addition, the formula is C₁₁H₁₆O and the molecular weight is 164.24. This chemical is a white mass or fluffy needle. During using it, avoid contact with skin and eyes.

Physical properties about Benzeneethanol,2,4,6-trimethyl- are: (1)ACD/LogP: 2.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.74; (4)ACD/LogD (pH 7.4): 2.74; (5)ACD/BCF (pH 5.5): 71.09; (6)ACD/BCF (pH 7.4): 71.09; (7)ACD/KOC (pH 5.5): 736.47; (8)ACD/KOC (pH 7.4): 736.47; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.526; (13)Molar Refractivity: 51.81 cm³; (14)Molar Volume: 168.5 cm³; (15)Surface Tension: 36.2 dyne/cm; (16)Density: 0.974 g/cm³; (17)Flash Point: 138.4 °C; (18)Enthalpy of Vaporization: 55.98 kJ/mol; (19)Boiling Point: 290.7 °C at 760 mmHg; (20)Vapour Pressure: 0.000939 mmHg at 25 °C.

Uses of Benzeneethanol,2,4,6-trimethyl-: it is used to produce (2,4,6-trimethyl-phenyl)-acetaldehyde by swern oxidation reaction. The yield is about 78 %.

Benzeneethanol,2,4,6-trimethyl- is used to produce (2,4,6-trimethyl-phenyl)-acetaldehyde by swern oxidation reaction.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: CC1=CC(=C(C(=C1)C)CCO)C
2. InChI: InChI=1S/C11H16O/c1-8-6-9(2)11(4-5-12)10(3)7-8/h6-7,12H,4-5H2,1-3H3
3. InChIKey: FQZPTDPHVFTOSY-UHFFFAOYSA-N