2-Methylbutyl 2-methylbutyrate supplier

Name
2-Methylbutyl 2-methylbutyrate
EINECS 219-497-2
CAS No. 2445-78-5
Article Data12
CAS DataBase
Density 0.87 g/cm³
Solubility
Melting Point
Formula C₁₀H₂₀O₂
Boiling Point 185 °C at 760 mmHg
Molecular Weight 172.268
Flash Point 65.2 °C
Transport Information UN 3082
Appearance colorless liquid
Safety 61
Risk Codes 51/53
Molecular Structure
Hazard Symbols N
Synonyms Butyricacid, 2-methyl-, 2-methylbutyl ester (7CI,8CI);2-Methyl butanoic acid-2-methylbutyl ester;2-Methylbutyl 2-methylbutanoate;2-Methylbutyl 2-methylbutyrate;
PSA 26.30000
LogP 2.62180

2-Methylbutyl 2-methylbutyrate Specification

This chemical is called Butanoic acid, 2-methyl-, 2-methylbutyl ester, and its systematic name is 2-methylbutyl 2-methylbutanoate. With the molecular formula of C₁₀H₂₀O₂, its product categories are Alphabetical Listings; Flavors and Fragrances; M-N. The CAS registry number of this chemical is 2445-78-5.

Other characteristics of the Butanoic acid, 2-methyl-, 2-methylbutyl ester can be summarised as followings: (1)ACD/LogP: 3.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.53; (4)ACD/LogD (pH 7.4): 3.53; (5)ACD/BCF (pH 5.5): 282.93; (6)ACD/BCF (pH 7.4): 282.93; (7)ACD/KOC (pH 5.5): 1979.34; (8)ACD/KOC (pH 7.4): 1979.34; (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: 1.42; (14)Molar Refractivity: 50.06 cm³; (15)Molar Volume: 197.8 cm³; (16)Polarizability: 19.84×10^-24cm³; (17)Surface Tension: 26.6 dyne/cm; (18)Density: 0.87 g/cm³; (19)Flash Point: 65.2 °C; (20)Enthalpy of Vaporization: 42.12 kJ/mol; (21)Boiling Point: 185 °C at 760 mmHg; (22)Vapour Pressure: 0.713 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Avoid releasing it to the environment. Refer to special instructions / safety data sheets.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCC(CC)C)C(CC)C
2.InChI: InChI=1/C10H20O2/c1-5-8(3)7-12-10(11)9(4)6-2/h8-9H,5-7H2,1-4H3
3.InChIKey: PVYFCGRBIREQLL-UHFFFAOYAL

Product Name

2-Methylbutyl 2-methylbutyrate

2-Methylbutyl 2-methylbutyrate Specification

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