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41785-81-3

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Basic Information
CAS No.: 41785-81-3
Name: 2-tert-butyl-3,3-dimethylbutanoic acid
Article Data: 8
Molecular Structure:
Molecular Structure of 41785-81-3 (2-tert-butyl-3,3-dimethylbutanoic acid)
Formula: C10H20O2
Molecular Weight: 172.268
Synonyms: 2-tert-Butyl-3,3-dimethylbutanoic acid;
Density: 0.912 g/cm3
Boiling Point: 252.8 °C at 760 mmHg
Flash Point: 111.4 °C
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  • Butanoic acid,2-(1,1-dimethylethyl)-3,3-dimethyl-

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    Butanoic acid,2-(1,1-dimethylethyl)-3,3-dimethyl-

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  • Butanoic acid,2-(1,1-dimethylethyl)-3,3-dimethyl-

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    Butanoic acid,2-(1,1-dimethylethyl)-3,3-dimethyl-

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    41785-81-3

    Butanoic acid,2-(1,1-dimethylethyl)-3,3-dimethyl-

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    Butanoic acid, 2-(1,1-dimethylethyl)-3,3-dimethyl-

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Specification

The Butanoic acid,2-(1,1-dimethylethyl)-3,3-dimethyl- has CAS registry number 41785-81-3. The molecular formula of this chemical is C10H20O2 and its molecular weight is 172.2646. What's more, its IUPAC name is 2-tert-Butyl-3,3-dimethylbutanoic acid.

Physical properties about Butanoic acid,2-(1,1-dimethylethyl)-3,3-dimethyl- are: (1)ACD/LogP: 3.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.29; (4)ACD/LogD (pH 7.4): 0.51; (5)ACD/BCF (pH 5.5): 21.52; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 191.01; (8)ACD/KOC (pH 7.4): 3.1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.441; (14)Molar Refractivity: 49.83 cm3; (15)Molar Volume: 188.7 cm3; (16)Polarizability: 19.75×10-24 cm3; (17)Surface Tension: 29.3 dyne/cm; (18)Density: 0.912 g/cm3; (19)Flash Point: 111.4 °C; (20)Enthalpy of Vaporization: 53.97 kJ/mol; (21)Boiling Point: 252.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00592 mmHg at 25 °C.

Preparation of Butanoic acid,2-(1,1-dimethylethyl)-3,3-dimethyl-: this chemical is prepared by 2-tert-Butyl-3,3-dimethyl-butan-1-ol. The reaction needs solvents H2SO4, AcOH, CrO3 and H2O.

 The Butanoic acid,2-(1,1-dimethylethyl)-3,3-dimethyl- can be obtained by 2-tert-Butyl-3,3-dimethyl-butan-1-ol.

Uses of Butanoic acid,2-(1,1-dimethylethyl)-3,3-dimethyl-: it is used to produce other chemicals. For example, it is used to produce 2-tert-Butyl-3,3-dimethyl-butyryl chloride. This reaction needs reagent SOCl2. The yield is about 87 %.

 Butanoic acid,2-(1,1-dimethylethyl)-3,3-dimethyl- can be used to produce 2-tert-Butyl-3,3-dimethyl-butyryl chloride.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C(C(C)(C)C)C(C)(C)C
(2) InChI: InChI=1/C10H20O2/c1-9(2,3)7(8(11)12)10(4,5)6/h7H,1-6H3,(H,11,12)
(3) InChIKey: CSUSKPNFQZZRGX-UHFFFAOYAG