Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Pentan-2-yl butanoate |
EINECS | 262-226-8 |
CAS No. | 60415-61-4 | Density | 0.874 g/cm3 |
PSA | 26.30000 | LogP | 2.51830 |
Solubility | N/A | Melting Point |
-73°C (estimate) |
Formula | C9H18O2 | Boiling Point | 176.5 °C at 760 mmHg |
Molecular Weight | 158.241 | Flash Point | 59.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 16 | Risk Codes | 10 |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-Methylbutylbutanoate;2-Pentyl butanoate;2-Pentyl butyrate; |
Article Data | 4 |
This chemical is called Pentan-2-yl butanoate, and it can also be named as 2-Pentyl butyrate. With the molecular formula of C9H18O2, its molecular weight is 158.24. The CAS registry number of this chemical is 60415-61-4. Additionally, its product categories are Alphabetical Listings; Flavors and Fragrances; O-P.
Other characteristics of the Pentan-2-yl butanoate can be summarised as followings: (1)ACD/LogP: 3.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.18; (4)ACD/LogD (pH 7.4): 3.18; (5)ACD/BCF (pH 5.5): 154.05; (6)ACD/BCF (pH 7.4): 154.05; (7)ACD/KOC (pH 5.5): 1280.97; (8)ACD/KOC (pH 7.4): 1280.97; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.416; (14)Molar Refractivity: 45.47 cm3; (15)Molar Volume: 180.9 cm3; (16)Polarizability: 18.02×10-24cm3; (17)Surface Tension: 26.9 dyne/cm; (18)Density: 0.874 g/cm3; (19)Flash Point: 59.4 °C; (20)Enthalpy of Vaporization: 41.28 kJ/mol; (21)Boiling Point: 176.5 °C at 760 mmHg; (22)Vapour Pressure: 1.09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC(CCC)C)CCC
2.InChI: InChI=1/C9H18O2/c1-4-6-8(3)11-9(10)7-5-2/h8H,4-7H2,1-3H3
3.InChIKey: DJOCFLQKCMWABC-UHFFFAOYAA