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Name |
Abscisic acid |
EINECS | N/A |
CAS No. | 14375-45-2 | Density | 1.193 g/cm3 |
PSA | 74.60000 | LogP | 2.24990 |
Solubility | methanol: 50 mg/mL | Melting Point |
183-186 °C |
Formula | C15H20O4 | Boiling Point | 458.74 °C at 760 mmHg |
Molecular Weight | 264.321 | Flash Point | 245.36 °C |
Transport Information | N/A | Appearance | White to pale-yellow powder |
Safety | 24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2,4-Pentadienoicacid, 5-(1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-, (Z,E)-;(RS)-Abscisic acid;PBI 57; |
Article Data | 17 |
The Abscisic acid, with the CAS registry number 14375-45-2, is also known as (2-cis,4-trans)-5-(1-Hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-2,4-pentadienoic acid. It belongs to the product categories of Sesqui-Terpenoids; Biochemistry; Plant Growth Regulators; Plant Growth Trgulators (Others); Terpenes; Terpenes (Others). This chemical's molecular formula is C15H20O4 and molecular weight is 264.32. What's more, both its IUPAC name and systematic name are the same which is called (2Z,4E)-5-(1-Hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid. It functions in many plant developmental processes, including bud dormancy. Abscisic acid is an isoprenoid plant hormone, which is synthesized in the plastidal 2-C-methyl-D-erythritol-4-phosphate (MEP) pathway. It can be used to biochemical research. When you are dealing with this chemical, you should avoid contacting with skin and eyes.
Physical properties about Abscisic acid are: (1)ACD/LogP: 1.703; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.86; (4)ACD/LogD (pH 7.4): -0.94; (5)ACD/BCF (pH 5.5): 1.67; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 28.92; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12) Polar Surface Area: 74.6 Å2; (13)Index of Refraction: 1.583; (14)Molar Refractivity: 74.035 cm3; (15)Molar Volume: 221.509 cm3; (16)Surface Tension: 51.57 dyne/cm; (17)Density: 1.193 g/cm3; (18)Flash Point: 245.36 °C; (19)Enthalpy of Vaporization: 82.941 kJ/mol; (20)Boiling Point: 458.74 °C at 760 mmHg; (21)Vapour Pressure: 0 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=1S/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-WEYXYWBQSA-N