| Identification | |
| Name: | Pentanoic acid,2-methyl-, 2-methylpentyl ester |
| Synonyms: | 2-Methylpentyl2-methylpentanoate;Peranat; |
| CAS: | 90397-38-9 |
| EINECS: | 291-418-4 |
| Molecular Formula: | C12H24O2 |
| Molecular Weight: | 200.3178 |
| InChI: | InChI=1/C12H24O2/c1-5-7-10(3)9-14-12(13)11(4)8-6-2/h10-11H,5-9H2,1-4H3 |
| Molecular Structure: |  |
| Properties | |
| Density: | 0.867 g/cm3 |
| Refractive index: | 1.427 |
| Water Solubility: | INSOLUBLE IN WATER |
| Solubility: | INSOLUBLE IN WATER |
| Appearance: | clear mobile liquid |
| Specification: |
The IUPAC name of 2-Methylpentyl 2-methylvalerate is 2-methylpentyl 2-methylpentanoate. With the CAS registry number 90397-38-9, it is also named as Pentanoic acid, 2-methyl-, 2-methylpentyl ester. The product's classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]. In addition, its molecular formula is C12H24O2 and its molecular weight is 200.32. This chemical is clear mobile liquid which is insoluble in water. The other characteristics of 2-Methylpentyl 2-methylvalerate can be summarized as: (1)EINECS: 291-418-4; (2)ACD/LogP: 4.59; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 4.59; (5)ACD/LogD (pH 7.4): 4.59; (6)ACD/BCF (pH 5.5): 1816.92; (7)ACD/BCF (pH 7.4): 1816.92; (8)ACD/KOC (pH 5.5): 7492.55; (9)ACD/KOC (pH 7.4): 7492.55; (10)H bond acceptors: 2; (11)H bond donors: 0; (12)Freely Rotating Bonds: 8; (13)Polar Surface Area: 26.3 Å2; (14)Index of Refraction: 1.427; (15)Molar Refractivity: 59.33 cm3; (16)Molar Volume: 230.8 cm3; (17)Polarizability: 23.52×10-24cm3; (18)Surface Tension: 27.5 dyne/cm; (19)Density: 0.867 g/cm3; (20)Flash Point: 91.8 °C; (21)Enthalpy of Vaporization: 45.85 kJ/mol; (22)Boiling Point: 222 °C at 760 mmHg; (23)Vapour Pressure: 0.104 mmHg at 25 °C. People can use the following data to convert to the molecule structure. |
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