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| CAS No.: | 76937-26-3 |
|---|---|
| Name: | 2-BUTYL-1-INDANONE 95 |
| Article Data: | 11 |
| Molecular Structure: | |
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| Formula: | C13H16O |
| Molecular Weight: | 188.27 |
| Synonyms: | 1-Indanone,2-butyl- (6CI);2-Butyl-1-indanone;2-butyl-2,3-dihydro-1H-inden-1-one;2-Butyl-1-indanone;2-butylindan-1-one; |
| Density: | 1.014 g/cm3 |
| Boiling Point: | 289.5 °C at 760 mmHg |
| Flash Point: | 119.9 °C |
| PSA: | 17.07000 |
| LogP: | 3.23180 |
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Specification
The 1H-Inden-1-one,2-butyl-2,3-dihydro-, with the CAS registry number 76937-26-3, has the systematic name of 2-butyl-2,3-dihydro-1H-inden-1-one. It is a kind of light yellow oil, and belongs to the following product categories: Indanone & Indene; C13 to C14; Carbonyl Compounds; Ketones. And the molecular formula of the chemical is C13H16O.
The characteristics of 1H-Inden-1-one,2-butyl-2,3-dihydro- are as followings: (1)ACD/LogP: 4.19; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 17.07 Å2; (7)Index of Refraction: 1.527; (8)Molar Refractivity: 57.15 cm3; (9)Molar Volume: 185.6 cm3; (10)Polarizability: 22.65×10-24cm3; (11)Surface Tension: 36.4 dyne/cm; (12)Density: 1.014 g/cm3; (13)Flash Point: 119.9 °C; (14)Enthalpy of Vaporization: 52.89 kJ/mol; (15)Boiling Point: 289.5 °C at 760 mmHg; (16)Vapour Pressure: 0.00219 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C2c1ccccc1CC2CCCC
(2)InChI: InChI=1/C13H16O/c1-2-3-6-11-9-10-7-4-5-8-12(10)13(11)14/h4-5,7-8,11H,2-3,6,9H2,1H3
(3)InChIKey: AWYXNIWXOXKRDQ-UHFFFAOYAN