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23074-59-1

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Basic Information
CAS No.: 23074-59-1
Name: 3-ISOBUTOXY-2-CYCLOHEXEN-1-ONE
Article Data: 18
Molecular Structure:
Molecular Structure of 23074-59-1 (3-ISOBUTOXY-2-CYCLOHEXEN-1-ONE)
Formula: C10H16O2
Molecular Weight: 168.236
Synonyms: 2-Cyclohexen-1-one,3-isobutoxy- (6CI,8CI);3-(2-Methylpropoxy)-2-cyclohexen-1-one;3-Isobutoxy-2-cyclohexen-1-one;3-Isobutoxy-2-cyclohexenone;3-iso-Butoxy-2-cyclohexenone;
EINECS: 245-414-4
Density: 0.97 g/cm3
Boiling Point: 273.6 °C at 760 mmHg
Flash Point: 116 °C
Appearance: clear colorless to very slightly yellow liquid
Safety: 24/25
PSA: 26.30000
LogP: 2.29590
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Specification

The 2-Cyclohexen-1-one,3-(2-methylpropoxy)-, with the CAS registry number 23074-59-1, is also known as ZINC04262214. Its EINECS registry number is 245-414-4. This chemical's molecular formula is C10H16O2 and molecular weight is 168.23284. Its IUPAC name is called 3-(2-methylpropoxy)cyclohex-2-en-1-one. This chemical is clear colorless to very slightly yellow liquid. When you are using this chemical, please be cautious about it. You should avoid contacting it with skin and eyes.

Physical properties of 2-Cyclohexen-1-one,3-(2-methylpropoxy)-: (1)ACD/LogP: 2.23; (2)#H bond acceptors: 3; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 1; (5)Index of Refraction: 1.64; (6)Molar Refractivity: 49.16 cm3; (7)Molar Volume: 136.2 cm3; (8)Surface Tension: 59 dyne/cm; (9)Density: 1.26 g/cm3; (10)Flash Point: 186.6 °C; (11)Enthalpy of Vaporization: 63.37 kJ/mol; (12)Boiling Point: 385 °C at 760 mmHg; (13)Vapour Pressure: 3.94E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by cyclohexane-1,3-dione and 2-methyl-propan-1-ol. This reaction will need reagent sulfuric acid and solvent benzene. The reaction time is 20 hours. The yield is about 93%.

Uses of 2-Cyclohexen-1-one,3-(2-methylpropoxy)-: it can be used to produce 3-trimethylsilanylethynyl-cyclohex-2-enone. This reaction will need solvent tetrahydrofuran. The yield is about 82%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1\C=C(\OCC(C)C)CCC1
(2)InChI: InChI=1/C10H16O2/c1-8(2)7-12-10-5-3-4-9(11)6-10/h6,8H,3-5,7H2,1-2H3
(3)InChIKey: FKJAZODXPHIGOL-UHFFFAOYAH