3-Dodecanol supplier | CasNO.10203-30-2

Name
3-Dodecanol
EINECS
CAS No. 10203-30-2
Article Data14
CAS DataBase
Density 0.829 g/cm³
Solubility
Melting Point 25 °C
Formula C₁₂H₂₆O
Boiling Point 245.5 °C at 760 mmHg
Molecular Weight 186.338
Flash Point 100.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms NSC158523;Dodecan-3-ol;
PSA 20.23000
LogP 3.89800

3-Dodecanol Specification

The 3-Dodecanol, with the CAS registry number 10203-30-2, is also known as NSC158523. This chemical's molecular formula is C₁₂H₂₆O and molecular weight is 186.33. What's more, its IUPAC name is Dodecan-3-ol.

Physical properties of 3-Dodecanol are: (1)ACD/LogP: 4.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.94; (4)ACD/LogD (pH 7.4): 4.94; (5)ACD/BCF (pH 5.5): 3357.07; (6)ACD/BCF (pH 7.4): 3357.07; (7)ACD/KOC (pH 5.5): 11627.25; (8)ACD/KOC (pH 7.4): 11627.25; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.439; (14)Molar Refractivity: 59.13 cm³; (15)Molar Volume: 224.4 cm³; (16)Polarizability: 23.44×10^-24 cm³; (17)Surface Tension: 29.6 dyne/cm; (18)Density: 0.829 g/cm³; (19)Flash Point: 100.1 °C; (20)Enthalpy of Vaporization: 56.07 kJ/mol; (21)Boiling Point: 245.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00476 mmHg at 25 °C.

Preparation: this chemical can be prepared by decanoic acid methyl ester and ethylmagnesium bromide at the temperature of 20 °C. This reaction will need reagent Zn(BH₄)₂ and solvent tetrahydrofuran with the reaction time of 30 min. The yield is about 76%.

3-Dodecanol can be prepared by decanoic acid methyl ester and ethylmagnesium bromide at the temperature of 20 °C.

Uses of 3-Dodecanol: it can be used to produce dodecan-3-one. It will need reagents Na₂Cr₂O₇ and AcOH.

3-Dodecanol can be used to produce dodecan-3-one.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCC(CC)O
(2)InChI: InChI=1S/C12H26O/c1-3-5-6-7-8-9-10-11-12(13)4-2/h12-13H,3-11H2,1-2H3
(3)InChIKey: OKDGZLITBCRLLJ-UHFFFAOYSA-N

Product Name

3-Dodecanol

3-Dodecanol Specification

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