1-Cyclopropyl-1,3-butanedione supplier

Name
1-Cyclopropyl-1,3-butanedione
EINECS 696-044-9
CAS No. 21573-10-4
Article Data19
CAS DataBase
Density 1.1 g/cm³
Solubility
Melting Point
Formula C₇H₁₀O₂
Boiling Point 198.5 °C at 760 mmHg
Molecular Weight 126.155
Flash Point 70.1 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 1-Cyclopropyl-1,3-butanedione;
PSA 34.14000
LogP 0.94460

1-Cyclopropyl-1,3-butanedione Specification

The 1-Cyclopropyl-1,3-butanedione, with CAS registry number 21573-10-4, has the systematic name of 1-cyclopropylbutane-1,3-dione. Besides this, it is also called 1,3-Butanedione, 1-cyclopropyl-. And the chemical formula of this chemical is C₇H₁₀O₂.

Physical properties of 1-Cyclopropyl-1,3-butanedione: (1)ACD/LogP: 0.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.71; (4)ACD/LogD (pH 7.4): 0.7; (5)ACD/BCF (pH 5.5): 2.02; (6)ACD/BCF (pH 7.4): 2.01; (7)ACD/KOC (pH 5.5): 57.66; (8)ACD/KOC (pH 7.4): 57.18; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 34.14 Å²; (13)Index of Refraction: 1.476; (14)Molar Refractivity: 32.33 cm³; (15)Molar Volume: 114.6 cm³; (16)Polarizability: 12.81×10^-24cm³; (17)Surface Tension: 40.4 dyne/cm; (18)Enthalpy of Vaporization: 43.47 kJ/mol; (19)Vapour Pressure: 0.359 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)CC(=O)C1CC1
(2)InChI: InChI=1/C7H10O2/c1-5(8)4-7(9)6-2-3-6/h6H,2-4H2,1H3
(3)InChIKey: KLCGMDWRXACELA-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C7H10O2/c1-5(8)4-7(9)6-2-3-6/h6H,2-4H2,1H3
(5)Std. InChIKey: KLCGMDWRXACELA-UHFFFAOYSA-N

Product Name

1-Cyclopropyl-1,3-butanedione

1-Cyclopropyl-1,3-butanedione Specification

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