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19910-29-3

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Basic Information
CAS No.: 19910-29-3
Name: 2,3,3-TRIMETHYLBUTANOIC ACID
Article Data: 2
Molecular Structure:
Molecular Structure of 19910-29-3 (2,3,3-TRIMETHYLBUTANOIC ACID)
Formula: C7H14O2
Molecular Weight: 130.187
Synonyms: 2,3,3-Trimethylbutanoic acid;
Density: 0.935 g/cm3
Melting Point: 24.5 °C
Boiling Point: 203.6 °C at 760 mmHg
Flash Point: 88.5 °C
PSA: 37.30000
LogP: 1.75320
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Specification

The Butanoic acid,2,3,3-trimethyl- has CAS registry number 19910-29-3. The molecular formula of this chemical is C7H14O2 and its molecular weight is 130.18. What's more, its systematic name is 2,3,3-Trimethylbutanoic acid.

Physical properties about Butanoic acid,2,3,3-trimethyl- are: (1)ACD/LogP: 1.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.07; (4)ACD/LogD (pH 7.4): -0.72; (5)ACD/BCF (pH 5.5): 2.51; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 41.04; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.43; (14)Molar Refractivity: 35.96 cm3; (15)Molar Volume: 139.1 cm3; (16)Polarizability: 14.25×10-24 cm3; (17)Surface Tension: 29.7 dyne/cm; (18)Density: 0.935 g/cm3; (19)Flash Point: 88.5 °C; (20)Enthalpy of Vaporization: 48.47 kJ/mol; (21)Boiling Point: 203.6 °C at 760 mmHg; (22)Vapour Pressure: 0.113 mmHg at 25 °C.

Preparation of Butanoic acid,2,3,3-trimethyl-: this chemical is prepared by Ethyl-2,3,3-trimethylbutanoat. The reaction needs reagent KOtBu and solvent Dimethylsulfoxide. The yield is about 94 %.

 The Butanoic acid,2,3,3-trimethyl- can be obtained by Ethyl-2,3,3-trimethylbutanoat.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C(C)C(C)(C)C
(2) InChI: InChI=1/C7H14O2/c1-5(6(8)9)7(2,3)4/h5H,1-4H3,(H,8,9)
(3) InChIKey: ILBXYVICWFMUPR-UHFFFAOYAE