2,4-Pentadienoic acid,5-(1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl- supplier

Name
5-(1-HYDROXY-2,6,6-TRIMETHYL-4-OXOCYCLOHEX-2-ENYL)-3-METHYLPENTA-2,4-DIENOIC ACID
EINECS
CAS No. 7773-56-0
Article Data17
CAS DataBase
Density 1.193 g/cm³
Solubility
Melting Point 186℃
Formula C₁₅H₂₀O₄
Boiling Point 458.7 °C at 760 mmHg
Molecular Weight 264.321
Flash Point 245.4 °C
Transport Information
Appearance
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols R36/37/38:Irritating to eyes, respiratory system and skin.;
Synonyms 5-(1-Hydroxy-2,6,6-trimethyl-4-oxo-cyclohex-2-enyl)-3-methyl-penta-2,4-dienoic acid;
PSA 74.60000
LogP 2.24990

2,4-Pentadienoic acid,5-(1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl- Specification

The 2,4-Pentadienoic acid,5-(1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-, with the CAS registry number 7773-56-0, is also known as 5-(1-Hydroxy-2,6,6-trimethyl-4-oxo-cyclohex-2-enyl)-3-methyl-penta-2,4-dienoic acid. This chemical's molecular formula is C₁₅H₂₀O₄ and molecular weight is 264.32. What's more, its systematic name is called (2E,4E)-5-(1-Hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid.

Physical properties about 2,4-Pentadienoic acid,5-(1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl- are: (1)ACD/LogP: 1.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.81; (4)ACD/BCF (pH 5.5): 1.49; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 25.82; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 52.6 Å²; (12)Index of Refraction: 1.583; (13)Molar Refractivity: 74.03 cm³; (14)Molar Volume: 221.5 cm³; (15)Surface Tension: 51.5 dyne/cm; (16)Density: 1.193 g/cm³; (17)Flash Point: 245.4 °C; (18)Enthalpy of Vaporization: 82.94 kJ/mol; (19)Boiling Point: 458.7 °C at 760 mmHg; (20)Vapour Pressure: 2.41E-10 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1\C=C(/C(O)(\C=C\C(=C\C(=O)O)C)C(C)(C)C1)C
(2) InChI: InChI=1/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7+
(3) InChIKey: JLIDBLDQVAYHNE-WEYXYWBQBB

Product Name

5-(1-HYDROXY-2,6,6-TRIMETHYL-4-OXOCYCLOHEX-2-ENYL)-3-METHYLPENTA-2,4-DIENOIC ACID

2,4-Pentadienoic acid,5-(1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl- Specification

Related Products

Hot Products