2H-Pyran-2-one,5-butyl-5-ethyltetrahydro- supplier

Name
4-ETHYL-4-BUTYL-DELTA-VALEROLACTONE
EINECS 267-048-4
CAS No. 67770-79-0
Density 0.918 g/cm³
Solubility
Melting Point
Formula C₁₁H₂₀O₂
Boiling Point 266.5 °C at 760 mmHg
Molecular Weight 184.279
Flash Point 105.7 °C
Transport Information
Appearance An almost colourless liquid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Caprylicacid, g-ethyl-g-(hydroxymethyl)-, d-lactone (4CI);Octanoic acid,4-ethyl-4-(hydroxymethyl)-, d-lactone (6CI);
PSA 26.30000
LogP 2.91000

2H-Pyran-2-one,5-butyl-5-ethyltetrahydro- Specification

The 2H-Pyran-2-one,5-butyl-5-ethyltetrahydro-, with the CAS registry number 67770-79-0, is also known as 2H-Pyran-2-one, 5-butyl-5-ethyltetrahydro-. Its EINECS registry number is 267-048-4. This chemical's molecular formula is C₁₁H₂₀O₂ and molecular weight is 184.28. Its IUPAC name is called 5-butyl-5-ethyloxan-2-one.

Physical properties of 2H-Pyran-2-one,5-butyl-5-ethyltetrahydro-: (1)ACD/LogP: 2.96; (2)ACD/LogD (pH 5.5): 2.96; (3)ACD/LogD (pH 7.4): 2.96; (4)ACD/BCF (pH 5.5): 104.31; (5)ACD/BCF (pH 7.4): 104.31; (6)ACD/KOC (pH 5.5): 969; (7)ACD/KOC (pH 7.4): 969; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.437; (11)Molar Refractivity: 52.61 cm³; (12)Molar Volume: 200.5 cm³; (13)Surface Tension: 28.3 dyne/cm; (14)Density: 0.918 g/cm³; (15)Flash Point: 105.7 °C; (16)Enthalpy of Vaporization: 50.45 kJ/mol; (17)Boiling Point: 266.5 °C at 760 mmHg; (18)Vapour Pressure: 0.0086 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCC1(CCC(=O)OC1)CC
(2)InChI: InChI=1S/C11H20O2/c1-3-5-7-11(4-2)8-6-10(12)13-9-11/h3-9H2,1-2H3
(3)InChIKey: BACWTVIXOCGZHC-UHFFFAOYSA-N

Product Name

4-ETHYL-4-BUTYL-DELTA-VALEROLACTONE

2H-Pyran-2-one,5-butyl-5-ethyltetrahydro- Specification

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