Pentan-2-yl butanoate supplier

Name
2-PENTYL BUTYRATE
EINECS 262-226-8
CAS No. 60415-61-4
Article Data4
CAS DataBase
Density 0.874 g/cm³
Solubility
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
Appearance
Safety 16
Risk Codes 10
Molecular Structure
Hazard Symbols
Synonyms 1-Methylbutylbutanoate;2-Pentyl butanoate;2-Pentyl butyrate;
PSA 26.30000
LogP 2.51830

Pentan-2-yl butanoate Specification

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

Product Name

2-PENTYL BUTYRATE

Pentan-2-yl butanoate Specification

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