delta-Nonalactone supplier | CasNO.3301-94-8

Name
delta-Nonalactone
EINECS 221-974-5
CAS No. 3301-94-8
Article Data15
CAS DataBase
Density 0.949 g/cm³
Solubility Insoluble in water, soluble in alcohol and organic solvents
Melting Point -26 °C
Formula C₉H₁₆O₂
Boiling Point 253.326 °C at 760 mmHg
Molecular Weight 156.225
Flash Point 99.09 °C
Transport Information UN 1224 3/PG 3
Appearance colourless to pale yellow liquid with a coconut-like odour
Safety 16
Risk Codes 10
Molecular Structure
Hazard Symbols
Synonyms Nonanoicacid, 5-hydroxy-, lactone (7CI);Nonanoic acid, 5-hydroxy-, d-lactone (6CI);(RS)-d-Nonalactone;5-Hydroxynonanoic acid d-lactone;5-Nonanolide;Nonan-1,5-olide;d-Butyl-d-valerolactone;d-Butylvalerolactone;d-Nonalactone;6-Butyltetrahydro-2H-pyran-2-one;5-Hydroxynonanoic acid lactone;
PSA 26.30000
LogP 2.27230

delta-Nonalactone Specification

The delta-Nonalactone, with the CAS registry number 3301-94-8, is also known as 5-Hydroxynonanoic acid lactone. Its EINECS number is 221-974-5. This chemical's molecular formula is C₉H₁₆O₂and molecular weight is 156.22. What's more, its systematic name is 6-Butyltetrahydro-2H-pyran-2-one. It is stable at common pressure and temperature, and it should be sealed and stored in a ventilated and dry place. Moreover, it should be protected from light. It is flammable, so you should keep it away from sources of ignition - No smoking.

Physical properties of delta-Nonalactone are: (1)ACD/LogP: 1.959; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.96; (4)ACD/LogD (pH 7.4): 1.96; (5)ACD/BCF (pH 5.5): 18.16; (6)ACD/BCF (pH 7.4): 18.16; (7)ACD/KOC (pH 5.5): 277.29; (8)ACD/KOC (pH 7.4): 277.29; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.44; (14)Molar Refractivity: 43.387 cm³; (15)Molar Volume: 164.58 cm³; (16)Polarizability: 17.2×10^-24cm³; (17)Surface Tension: 29.75 dyne/cm; (18)Density: 0.949 g/cm³; (19)Flash Point: 99.09 °C; (20)Enthalpy of Vaporization: 49.071 kJ/mol; (21)Boiling Point: 253.326 °C at 760 mmHg; (22)Vapour Pressure: 0.018 mmHg at 25°C.

Preparation of delta-Nonalactone: this chemical can be prepared by 2-butyl-cyclopentanone at the temperature of 50 - 70 °C. This reaction will need reagents MoOBr₃, H₂O₂, AcOH, Ac₂O with the reaction time of 6 hours. The yield is about 78%.

delta-Nonalactone can be prepared by 2-butyl-cyclopentanone at the temperature of 50 - 70 °C

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1OC(CCCC)CCC1
(2)Std. InChI: InChI=1S/C9H16O2/c1-2-3-5-8-6-4-7-9(10)11-8/h8H,2-7H2,1H3
(3)Std. InChIKey: PXRBWNLUQYZAAX-UHFFFAOYSA-N

Product Name

delta-Nonalactone

delta-Nonalactone Specification

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