Mesityl(oxo)acetaldehyde hydrate (1:1) supplier

Name
2,4,6-TRIMETHYLPHENYLGLYOXAL HYDRATE
EINECS 604-604-1
CAS No. 142751-35-7
Density
Solubility
Melting Point
Formula C₁₁H₁₄O₃
Boiling Point 369.5 °C at 760 mmHg
Molecular Weight 194.23
Flash Point 177.3 °C
Transport Information
Appearance
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms Benzeneacetaldehyde,2,4,6-trimethyl-a-oxo-,monohydrate (9CI);
PSA 57.53000
LogP 1.10520

Mesityl(oxo)acetaldehyde hydrate (1:1) Specification

This chemical is called Mesityl(oxo)acetaldehyde hydrate (1:1), and its systematic name is 2-Oxo-2-(2,4,6-trimethylphenyl)acetaldehyde hydrate. With the molecular formula of C₁₁H₁₄O₃, its molecular weight is 194.23. The CAS registry number of this chemical is 142751-35-7.

Other characteristics of the Mesityl(oxo)acetaldehyde hydrate (1:1) can be summarised as followings: (1)ACD/LogP: 0.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.95; (4)ACD/LogD (pH 7.4): 0.95; (5)#H bond acceptors: 3; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 34.14 Å²; (9)Flash Point: 177.3 °C; (10)Enthalpy of Vaporization: 65.02 kJ/mol; (11)Boiling Point: 369.5 °C at 760 mmHg; (12)Vapour Pressure: 4.11E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Cc1cc(c(c(c1)C)C(=O)C=O)C.O
2.InChI: InChI=1/C11H12O2.H2O/c1-7-4-8(2)11(9(3)5-7)10(13)6-12;/h4-6H,1-3H3;1H2
3.InChIKey: SBIUCNOOFPPMNX-UHFFFAOYAM

Product Name

2,4,6-TRIMETHYLPHENYLGLYOXAL HYDRATE

Mesityl(oxo)acetaldehyde hydrate (1:1) Specification

Related Products

Hot Products