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60415-61-4

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Basic Information
CAS No.: 60415-61-4
Name: 2-PENTYL BUTYRATE
Article Data: 4
Molecular Structure:
Molecular Structure of 60415-61-4 (2-PENTYL BUTYRATE)
Formula: C9H18O2
Molecular Weight: 158.241
Synonyms: 1-Methylbutylbutanoate;2-Pentyl butanoate;2-Pentyl butyrate;
EINECS: 262-226-8
Density: 0.874 g/cm3
Melting Point: -73°C (estimate)
Boiling Point: 176.5 °C at 760 mmHg
Flash Point: 59.4 °C
Risk Codes: 10
Safety: 16
PSA: 26.30000
LogP: 2.51830
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    60415-61-4

    2-pentyl butyrate

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  • Butanoic acid,1-methylbutyl ester

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    Butanoic acid,1-methylbutyl ester

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  • Butanoic acid,1-methylbutyl ester

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    Butanoic acid,1-methylbutyl ester

    Min.Order: 1 Gram

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    Shandong Mopai Biotechnology Co., LTD is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and OLED intermediates and other fine chemicals. W

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  • Pentan-2-yl butanoate

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    Pentan-2-yl butanoate

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    laboratory Application:Synthetic building block

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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