| Identification | |
| Name: | Propanoic acid,2-methyl-, 3-methylbutyl ester |
| Synonyms: | Isobutyricacid, isopentyl ester (6CI,7CI,8CI);Isopentyl alcohol, isobutyrate (8CI);3-Methyl-1-butyl isobutyrate;3-Methylbutyl 2-methylpropanoate;3-Methylbutylisobutyrate;Isoamyl 2-methylpropanoate;Isoamyl isobutanoate;Isoamylisobutyrate;Isopentyl isobutyrate; |
| CAS: | 2050-01-3 |
| EINECS: | 218-078-1 |
| Molecular Formula: | C9H18O2 |
| Molecular Weight: | 158.24 |
| InChI: | InChI=1/C9H18O2/c1-7(2)5-6-11-9(10)8(3)4/h7-8H,5-6H2,1-4H3 |
| Molecular Structure: |  |
| Properties | |
| Transport: | UN 2620 3/PG 3 |
| Melting Point: | -70 |
| Flash Point: | 50.5°C |
| Boiling Point: | 165.2°Cat760mmHg |
| Density: | 0.872g/cm3 |
| Stability: | Stable. Combustible. Incompatible with strong oxidizing agents, strong reducing agents. |
| Refractive index: | n20/D 1.406(lit.) |
| Water Solubility: | Stability Stable. Combustible. Incompatible with strong oxidizing agents,strong reducing agents. Toxicology May act as a skin, eye or respiratory irritant. Toxicity data |
| Solubility: |
|
| Appearance: | colourless liquid with a fruity smell |
| Specification: |
The Isopentyl isobutyrate, with the CAS registry number 2050-01-3 and EINECS registry number 218-078-1, has the systematic name of 3-methylbutyl 2-methylpropanoate. It belongs to the following product categories: Alphabetical Listings; Certified Natural ProductsFlavors and Fragrances; Flavors and Fragrances; I-L. And it is a kind of flammable chemical, so you'd better keep it away from sources of ignition and no smoking there. The characteristics of this chemical are as followings: (1)ACD/LogP: 3.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 111.65; (6)ACD/BCF (pH 7.4): 111.65; (7)ACD/KOC (pH 5.5): 1017.34; (8)ACD/KOC (pH 7.4): 1017.34; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.415; (14)Molar Refractivity: 45.43 cm3; (15)Molar Volume: 181.3 cm3; (16)Polarizability: 18.01×10-24cm3; (17)Surface Tension: 26 dyne/cm; (18)Density: 0.872 g/cm3; (19)Flash Point: 50.5 °C; (20)Enthalpy of Vaporization: 40.17 kJ/mol; (21)Boiling Point: 165.2 °C at 760 mmHg; (22)Vapour Pressure: 1.89 mmHg at 25°C. Addtionally, the following datas could be converted into the molecular structure: |
| Packinggroup: | III |
| Flash Point: | 50.5°C |
| Storage Temperature: | Keep away from heat, sparks and open flame. Keep containers tightly closed. Keep in original container. Flammable liquid storage. |
| Safety Data | |
 |
|
