Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Diethyl 3-hydroxy-3-methyl-pentanedioate |
EINECS | 277-481-0 |
CAS No. | 73489-84-6 | Density | 1.101 g/cm3 |
PSA | 72.83000 | LogP | 0.64380 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H18O5 | Boiling Point | 307.3 °C at 760 mmHg |
Molecular Weight | 218.25 | Flash Point | 111.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Diethyl 3-hydroxy-3-methylglutarate; |
Article Data | 3 |
The CAS registry number of Diethyl 3-hydroxy-3-methyl-pentanedioate is 73489-84-6. This chemical is also named as 3-Hydroxy-3-methylpentanedioic acid diethyl ester. The EINECS registry number of it is 277-481-0. In addition, its molecular formula is C10H18O5 and molecular weight is 218.24692. Its systematic name and IUPAC name are the same which is called diethyl 3-hydroxy-3-methylpentanedioate.
Physical properties about Diethyl 3-hydroxy-3-methyl-pentanedioate are: (1)ACD/LogP: 0.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.64; (4)ACD/LogD (pH 7.4): 0.64; (5)ACD/BCF (pH 5.5): 1.81; (6)ACD/BCF (pH 7.4): 1.81; (7)ACD/KOC (pH 5.5): 53.19; (8)ACD/KOC (pH 7.4): 53.19; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 9; (12)Index of Refraction: 1.451; (13)Molar Refractivity: 53.42 cm3; (14)Molar Volume: 198.1 cm3; (15)Surface Tension: 37.8 dyne/cm; (16)Density: 1.101 g/cm3; (17)Flash Point: 111.3 °C; (18)Enthalpy of Vaporization: 63.53 kJ/mol; (19)Boiling Point: 307.3 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)CC(O)(C)CC(=O)OCC
(2)InChI: InChI=1/C10H18O5/c1-4-14-8(11)6-10(3,13)7-9(12)15-5-2/h13H,4-7H2,1-3H3
(3)InChIKey: RFTWLMJKXJXJSI-UHFFFAOYAS