Dodecanoic acid,3-hydroxy-, methyl ester supplier

Name
METHYL 3-HYDROXYDODECANOATE
EINECS
CAS No. 72864-23-4
Article Data2
CAS DataBase
Density 0.942 g/cm³
Solubility
Melting Point 27 °C
Formula C₁₃H₂₆O₃
Boiling Point 327.7 °C at 760 mmHg
Molecular Weight 230.348
Flash Point 126.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl 3-hydroxydodecanoate;
PSA 46.53000
LogP 3.05110

Dodecanoic acid,3-hydroxy-, methyl ester Specification

The CAS registry number of Dodecanoic acid,3-hydroxy-, methyl ester is 72864-23-4. This chemical is also named as Methyl-3-hydroxydodec-5-enoate. In addition, its molecular formula is C₁₃H₂₆O₃ and molecular weight is 230.34. Its systematic name and IUPAC name are the same which is called methyl 3-hydroxydodecanoate.

Physical properties about Dodecanoic acid,3-hydroxy-, methyl ester are: (1)ACD/LogP: 3.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.7; (4)ACD/LogD (pH 7.4): 3.7; (5)ACD/BCF (pH 5.5): 382.13; (6)ACD/BCF (pH 7.4): 382.13; (7)ACD/KOC (pH 5.5): 2454.42; (8)ACD/KOC (pH 7.4): 2454.41; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 12; (12)Index of Refraction: 1.448; (13)Molar Refractivity: 65.54 cm³; (14)Molar Volume: 244.4 cm³; (15)Surface Tension: 33.5 dyne/cm; (16)Density: 0.942 g/cm³; (17)Flash Point: 126.7 °C; (18)Enthalpy of Vaporization: 66.06 kJ/mol; (19)Boiling Point: 327.7 °C at 760 mmHg.

Preparation: this chemical can be prepared by bromoacetic acid methyl ester and decanal. This reaction is a kind of Alkylation. It will need reagent Zn and solvents toluene, diethyl ether. The reaction time is 1.5 hours by heating. The yield is about 60 %.

preparation of Dodecanoic acid,3-hydroxy- can be prepared by bromoacetic acid methyl ester and decanal

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)CC(O)CCCCCCCCC
(2)InChI: InChI=1/C13H26O3/c1-3-4-5-6-7-8-9-10-12(14)11-13(15)16-2/h12,14H,3-11H2,1-2H3
(3)InChIKey: OZXCINYANGIBDB-UHFFFAOYAS

Product Name

METHYL 3-HYDROXYDODECANOATE

Dodecanoic acid,3-hydroxy-, methyl ester Specification

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