2,2,7-Trimethyl-2,6,7,8-tetrahydro-chromen-5-one supplier

Name
2,2,7-TRIMETHYL-2,6,7,8-TETRAHYDRO-CHROMEN-5-ONE
EINECS
CAS No. 504439-23-0
Density 1.06 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₆O₂
Boiling Point 310.2 °C at 760 mmHg
Molecular Weight 192.25424
Flash Point 136.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms T60026;
PSA 26.30000
LogP 2.60450

2,2,7-Trimethyl-2,6,7,8-tetrahydro-chromen-5-one Specification

The 5H-1-Benzopyran-5-one,2,6,7,8-tetrahydro-2,2,7-trimethyl- is the organic compound with the formula C₁₂H₁₆O₂. It belongs to the product category of Pharmacetical. With the CAS registry number 504439-23-0, its IUPAC name is 2,2,7-trimethyl-7,8-dihydro-6H-chromen-5-one.

Physical properties of 5H-1-Benzopyran-5-one,2,6,7,8-tetrahydro-2,2,7-trimethyl-: (1)ACD/LogP: 2.22; (2)ACD/LogD (pH 5.5): 2.22; (3)ACD/LogD (pH 7.4): 2.22; (4)#H bond acceptors: 2; (5)Index of Refraction: 1.519; (6)Molar Refractivity: 54.72 cm³; (7)Molar Volume: 180 cm³; (8)Surface Tension: 35.3 dyne/cm; (9)Density: 1.06 g/cm³; (10)Flash Point: 136.5 °C; (11)Enthalpy of Vaporization: 55.1 kJ/mol; (12)Boiling Point: 310.2 °C at 760 mmHg; (13)Vapour Pressure: 0.00061 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1CC2=C(C=CC(O2)(C)C)C(=O)C1
(2)InChI: InChI=1S/C12H16O2/c1-8-6-10(13)9-4-5-12(2,3)14-11(9)7-8/h4-5,8H,6-7H2,1-3H3
(3)InChIKey: QGPRNWZHXLFVBS-UHFFFAOYSA-N

Product Name

2,2,7-TRIMETHYL-2,6,7,8-TETRAHYDRO-CHROMEN-5-ONE

2,2,7-Trimethyl-2,6,7,8-tetrahydro-chromen-5-one Specification

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