1-(Tetrahydro-2H-pyran-4-yl)ethanone supplier

Name
1-(Tetrahydro-2H-pyran-4-yl)ethanone
EINECS 809-972-8
CAS No. 137052-08-5
Article Data10
CAS DataBase
Density 0.996 g/cm³
Solubility
Melting Point
Formula C₇H₁₂O₂
Boiling Point 197.304 °C at 760 mmHg
Molecular Weight 128.171
Flash Point 75.121 °C
Transport Information
Appearance
Safety 22-45-26
Risk Codes 42-36
Molecular Structure
Hazard Symbols Xn
Synonyms 1-(Tetrahydro-2H-pyran-4-yl)ethanone;4-Acetyltetrahydropyran;1-tetrahydropyran-4-ylethanone;
PSA 26.30000
LogP 1.00200

1-(Tetrahydro-2H-pyran-4-yl)ethanone Specification

The 1-(Tetrahydro-2H-pyran-4-yl)ethanone, with the CAS registry number 137052-08-5, has the systematic name of 1-tetrahydropyran-4-ylethanone. It belongs to the product category of Acetyl group. And the molecular formula of the chemical is C₇H₁₂O₂.

The characteristics of this chemical are as followings: (1)ACD/LogP: 0.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 33; (8)ACD/KOC (pH 7.4): 33; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.439; (14)Molar Refractivity: 33.869 cm³; (15)Molar Volume: 128.747 cm³; (16)Polarizability: 13.427×10^-24cm³; (17)Surface Tension: 31.178 dyne/cm; (18)Density: 0.996 g/cm³; (19)Flash Point: 75.121 °C; (20)Enthalpy of Vaporization: 43.35 kJ/mol; (21)Boiling Point: 197.304 °C at 760 mmHg; (22)Vapour Pressure: 0.381 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CC(=O)C1CCOCC1
(2)InChI: InChI=1/C7H12O2/c1-6(8)7-2-4-9-5-3-7/h7H,2-5H2,1H3
(3)InChIKey: VNMXIOWPBADSIC-UHFFFAOYAV

Product Name

1-(Tetrahydro-2H-pyran-4-yl)ethanone

1-(Tetrahydro-2H-pyran-4-yl)ethanone Specification

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