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CAS: 19998-93-7

Name:
Dodecanoic acid, 4-methyl-
Cas No.:
19998-93-7
Molecular Structure:
Molecular Structure of 19998-93-7 (Dodecanoic acid, 4-methyl-)
EINECS(EC#):
Molecular Formula:
C13H26O2
Molecular Weight:
214.3443
Synonyms:
4-Methyl lauric acid;
Chemical
Appearance:
 
mp :
 
bp :
323.3 °C at 760 mmHg
Flash Point:
176.7 °C
Density:
0.9 g/cm3
Water Solubility :
 
Safety Data

Risk Codes:

Safety:

RTECS :

DG0875000

Specification

The CAS registry number of Dodecanoic acid, 4-methyl- is 19998-93-7. This chemical is also named as 4-Methyl lauric acid. In addition, its molecular formula is C13H26O2 and molecular weight is 214.3443. Its systematic name is called 4-methyldodecanoic acid.

Physical properties about Dodecanoic acid, 4-methyl- are: (1)ACD/LogP: 5.38; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.58; (4)ACD/LogD (pH 7.4): 2.79; (5)ACD/BCF (pH 5.5): 1155.73; (6)ACD/BCF (pH 7.4): 18.56; (7)ACD/KOC (pH 5.5): 3226.6; (8)ACD/KOC (pH 7.4): 51.81; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 10; (12)Index of Refraction: 1.448; (13)Molar Refractivity: 63.79 cm3; (14)Molar Volume: 238.1 cm3; (15)Surface Tension: 32.4 dyne/cm; (16)Density: 0.9 g/cm3; (17)Flash Point: 176.7 °C; (18)Enthalpy of Vaporization: 62.14 kJ/mol; (19)Boiling Point: 323.3 °C at 760 mmHg.

Preparation: this chemical can be prepared by 4-methyl-dodecan-1-ol. This reaction will need reagents H2CrO3, aq. H2SO4 and solvent acetone. The reaction is at ambient temperature. The yield is about 70 %.

Dodecanoic acid, 4-methyl- can be prepared by 4-methyl-dodecan-1-ol

Uses of Dodecanoic acid, 4-methyl-: it can be used to produce 4-methyl-dodecan-1-ol. This reaction is a kind of Reduction. It will need reagent LiAlH4 and solvent diethyl ether. The yield is about 56 %.

Dodecanoic acid, 4-methyl- can be used to produce 4-methyl-dodecan-1-ol

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCC(CCCCCCCC)C
(2)InChI: InChI=1/C13H26O2/c1-3-4-5-6-7-8-9-12(2)10-11-13(14)15/h12H,3-11H2,1-2H3,(H,14,15)
(3)InChIKey: STDXFMGAJMQOFF-UHFFFAOYAE

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