2-Butyl-1-indanone supplier | CasNO.76937-26-3

Name
2-BUTYL-1-INDANONE 95
EINECS
CAS No. 76937-26-3
Article Data11
CAS DataBase
Density 1.014 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₆O
Boiling Point 289.5 °C at 760 mmHg
Molecular Weight 188.27
Flash Point 119.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 17.07000
LogP 3.23180

2-Butyl-1-indanone 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

Product Name

2-BUTYL-1-INDANONE 95

2-Butyl-1-indanone Specification

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