2,4-Pentanedione,3-[(2-hydroxyphenyl)methylene]- supplier

Name
3-[(2-hydroxyphenyl)methylidene]pentane-2,4-dione
EINECS
CAS No. 15809-22-0
Article Data9
CAS DataBase
Density 1.184 g/cm³
Solubility
Melting Point 100 °C
Formula C₁₂H₁₂O₃
Boiling Point 421.1 °C at 760 mmHg
Molecular Weight 204.225
Flash Point 222.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Salicylideneacetylacetone;2,4-Pentanedione,3-salicylidene- (6CI,7CI,8CI);3-Salicylideneacetylacetone;NSC 78749;3-(2-Hydroxybenzylidene)pentane-2,4-dione;
PSA 54.37000
LogP 1.95360

2,4-Pentanedione,3-[(2-hydroxyphenyl)methylene]- Specification

The 2,4-Pentanedione,3-[(2-hydroxyphenyl)methylene]-, with the CAS registry number 15809-22-0, is also known as Salicylideneacetylacetone. This chemical's molecular formula is C₁₂H₁₂O₃ and molecular weight is 204.22. What's more, its systematic name is 3-(2-hydroxybenzylidene)pentane-2,4-dione.

Physical properties of 2,4-Pentanedione,3-[(2-hydroxyphenyl)methylene]- are: (1)ACD/LogP: 1.69; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 43.37 Å²; (7)Index of Refraction: 1.585; (8)Molar Refractivity: 57.82 cm³; (9)Molar Volume: 172.3 cm³; (10)Polarizability: 22.92×10^-24cm³; (11)Surface Tension: 46.7 dyne/cm; (12)Density: 1.184 g/cm³; (13)Flash Point: 222.6 °C; (14)Enthalpy of Vaporization: 70.13 kJ/mol; (15)Boiling Point: 421.1 °C at 760 mmHg; (16)Vapour Pressure: 1.09E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(/C(=C\c1ccccc1O)C(=O)C)C
(2)InChI: InChI=1S/C12H12O3/c1-8(13)11(9(2)14)7-10-5-3-4-6-12(10)15/h3-7,15H,1-2H3
(3)InChIKey: DDMYUHBSCSXTAY-UHFFFAOYSA-N

Product Name

3-[(2-hydroxyphenyl)methylidene]pentane-2,4-dione

2,4-Pentanedione,3-[(2-hydroxyphenyl)methylene]- Specification

Related Products

Hot Products