2-Butylindene supplier | CasNO.92013-12-2

Name
2-BUTYL-1H-INDENE
EINECS
CAS No. 92013-12-2
Article Data5
CAS DataBase
Density 0.955 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₆
Boiling Point 262.16 °C at 760 mmHg
Molecular Weight 172.27
Flash Point 107.911 °C
Transport Information
Appearance transparent to yellow liquid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Butylindene;2-butyl-1H-indene;
PSA 0.00000
LogP 3.81630

2-Butylindene Specification

The 1H-Indene, 2-butyl-, with the CAS registry number 92013-12-2, has the systematic name of 2-butyl-1H-indene. It is a kind of transparent to yellow liquid, and belongs to the product categories of Indanone & Indene. And the molecular formula of the chemical is C₁₃H₁₆.

The characteristics of 1H-Indene, 2-butyl- are as followings: (1)ACD/LogP: 4.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 4358; (6)ACD/BCF (pH 7.4): 4358; (7)ACD/KOC (pH 5.5): 14016; (8)ACD/KOC (pH 7.4): 14016; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.54; (14)Molar Refractivity: 56.619 cm³; (15)Molar Volume: 180.396 cm³; (16)Polarizability: 22.446×10^-24cm³; (17)Surface Tension: 34.336 dyne/cm; (18)Density: 0.955 g/cm³; (19)Flash Point: 107.911 °C; (20)Enthalpy of Vaporization: 47.976 kJ/mol; (21)Boiling Point: 262.16 °C at 760 mmHg; (22)Vapour Pressure: 0.018 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CCCCC=1Cc2ccccc2C=1
(2)InChI: InChI=1/C13H16/c1-2-3-6-11-9-12-7-4-5-8-13(12)10-11/h4-5,7-9H,2-3,6,10H2,1H3
(3)InChIKey: RLFBCEPAILSHTL-UHFFFAOYAE

Product Name

2-BUTYL-1H-INDENE

2-Butylindene Specification

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