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2874-73-9

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Basic Information
CAS No.: 2874-73-9
Name: 2,2-DIMETHYLDODECANOIC ACID
Article Data: 12
Molecular Structure:
Molecular Structure of 2874-73-9 (2,2-DIMETHYLDODECANOIC ACID)
Formula: C14H28O2
Molecular Weight: 228.37
Synonyms: 2,2-Dimethyldodecanoicacid;2,2-Dimethyllauric acid;a,a-Dimethyllauric acid;
Density: 0.898 g/cm3
Melting Point: 27℃
Boiling Point: 334.6 °C at 760 mmHg
Flash Point: 151 °C
PSA: 37.30000
LogP: 4.62800
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Specification

The CAS registry number of Dodecanoic acid,2,2-dimethyl- is 2874-73-9. The molecular formula of this chemical is C14H28O2 and molecular weight is 228.37. Its systematic name is called 2,2-dimethyldodecanoic acid.

Physical properties about Dodecanoic acid,2,2-dimethyl- are: (1)ACD/LogP: 5.73; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 3.21; (5)ACD/BCF (pH 5.5): 2463.27; (6)ACD/BCF (pH 7.4): 40.31; (7)ACD/KOC (pH 5.5): 5779.73; (8)ACD/KOC (pH 7.4): 94.59; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 10; (12)Index of Refraction: 1.45; (13)Molar Refractivity: 68.43 cm3; (14)Molar Volume: 254.3 cm3; (15)Surface Tension: 32.2 dyne/cm; (16)Density: 0.898 g/cm3; (17)Flash Point: 151 °C; (18)Enthalpy of Vaporization: 63.48 kJ/mol; (19)Boiling Point: 334.6 °C at 760 mmHg.

Preparation: this chemical can be prepared by isobutyric acid and dec-1-ene. This reaction will need reagent tert-butyle peroxide. The reaction time is 4 days with reaction temperature of 143-150 °C. The yield is about 41 %.

Dodecanoic acid,2,2-dimethyl- can be prepared by isobutyric acid and dec-1-ene

Uses of Dodecanoic acid,2,2-dimethyl-: it can be used to produce 2,2-dimethyldodecanoyl chloride at ambient temperature. It will need reagent SOCl2. The yield is about 89 %.

Dodecanoic acid,2,2-dimethyl- can be used to produce 2,2-dimethyldodecanoyl chloride

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(CCCCCCCCCC)(C)C
(2)InChI: InChI=1/C14H28O2/c1-4-5-6-7-8-9-10-11-12-14(2,3)13(15)16/h4-12H2,1-3H3,(H,15,16)
(3)InChIKey: DGMAZGHRQYFPHM-UHFFFAOYAQ