1-Propanone,1-(5-methyl-2-thienyl)- supplier

Name
2-Methyl-5-propionylthiophene
EINECS
CAS No. 59303-13-8
Article Data6
CAS DataBase
Density 1.076 g/cm³
Solubility
Melting Point
Formula C₈H₁₀OS
Boiling Point 251.1 °C at 760 mmHg
Molecular Weight 154.233
Flash Point 105.7 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 5-Methyl-2-propionylthiophene;2-Methyl-5-propionylthiophene;1-(5-methylthiophen-2-yl)propan-1-one;
PSA 45.31000
LogP 2.64920

1-Propanone,1-(5-methyl-2-thienyl)- Specification

The 1-Propanone,1-(5-methyl-2-thienyl)-, with the CAS registry number 59303-13-8, has the systematic name of 1-(5-methylthiophen-2-yl)propan-1-one. It is also called 2-Methyl-5-propionylthiophene. And the molecular formula of this chemical is C₈H₁₀OS. In addition, it belongs to the product category of Thiophens.

The physical properties of 1-Propanone,1-(5-methyl-2-thienyl)- are as following: (1)ACD/LogP: 2.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.24; (4)ACD/LogD (pH 7.4): 2.24; (5)ACD/BCF (pH 5.5): 29.9; (6)ACD/BCF (pH 7.4): 29.9; (7)ACD/KOC (pH 5.5): 396.23; (8)ACD/KOC (pH 7.4): 396.23; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 45.31 Å²; (13)Index of Refraction: 1.528; (14)Molar Refractivity: 44.12 cm³; (15)Molar Volume: 143.2 cm³; (16)Polarizability: 17.49×10^-24cm³; (17)Surface Tension: 36.9 dyne/cm; (18)Density: 1.076 g/cm³; (19)Flash Point: 105.7 °C; (20)Enthalpy of Vaporization: 48.84 kJ/mol; (21)Boiling Point: 251.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0208 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1sc(cc1)C)CC
(2)Std. InChI: InChI=1S/C8H10OS/c1-3-7(9)8-5-4-6(2)10-8/h4-5H,3H2,1-2H3
(3)Std. InChIKey: ROPOMQPSWIOWSN-UHFFFAOYSA-N

Product Name

2-Methyl-5-propionylthiophene

1-Propanone,1-(5-methyl-2-thienyl)- Specification

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