4-Oxododecanedioic acid supplier

Name
4-Oxododecanedioic acid
EINECS
CAS No. 30828-09-2
Article Data3
CAS DataBase
Density 1.146±0.06 g/cm3(Predicted)
Solubility
Melting Point 106-109 °C(Solv: ethyl ether (60-29-7))
Formula C12H20 O5
Boiling Point 472.4±25.0 °C(Predicted)
Molecular Weight 244.288
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Oxododecanedioic acid
PSA 91.67000
LogP 2.23560

Synthetic route

: 85060-85-1
2,2-dimethyl-4,6-dioxo-5-(2-oxo-9-carbomethoxynonyl)-1,3-dioxane

: 30828-09-2
4-ketododecanedioic acid

Conditions

Conditions	Yield
With hydrogenchloride; acetic acid 1) H2O, reflux, 3 h, 2) reflux, 3 h; Yield given. Multistep reaction;
With hydrogenchloride; acetic acid 1.) reflux, 3 h, 2.) reflux, 3 h; Yield given. Multistep reaction;
Multi-step reaction with 2 steps 1: AcOH / H2O / 4 h / Heating 2: 0.7 g / conc. HCl / 4 h / Heating View Scheme

: 74017-21-3
4-Oxo-dodecanedioic acid 12-methyl ester

: 30828-09-2
4-ketododecanedioic acid

Conditions

Conditions	Yield
With hydrogenchloride for 4h; Heating;	0.7 g

: 2575-07-7
methyl 9-oxodecanoate

: 30828-09-2
4-ketododecanedioic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 1.) Br2, urea, 2.) KOH (aq.), Et4NI / 1.) MeOH, 20 deg C, 8 h, 2.) DMF, 20 deg C, 24 h 2: 1.) AcOH(aq.), 2.) HCl(conc.) / 1.) reflux, 3 h, 2.) reflux, 3 h View Scheme
Multi-step reaction with 3 steps 1: 1.) bromine, 2.) Et4N+I-, KOH / 1.) MeOH, ca.20 deg C, 1 h, 2.) DMF, water, 20 deg C, 48 h 2: AcOH / H2O / 4 h / Heating 3: 0.7 g / conc. HCl / 4 h / Heating View Scheme
Multi-step reaction with 3 steps 1: Br2, urea / dimethylformamide / 2 h 2: AcONa*3H2O / dimethylformamide / 24 h / 20 °C 3: 1) acetic acid, 2) conc. HCl / 1) H2O, reflux, 3 h, 2) reflux, 3 h View Scheme

: 85060-82-8
10-bromo-9-ketodecanoic acid methyl ester

: 30828-09-2
4-ketododecanedioic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: AcONa*3H2O / dimethylformamide / 24 h / 20 °C 2: 1) acetic acid, 2) conc. HCl / 1) H2O, reflux, 3 h, 2) reflux, 3 h View Scheme

: 67-56-1
methanol

: 30828-09-2
4-ketododecanedioic acid

: 30828-10-5
4-ketododecanedioic acid dimethyl ester

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate at 20℃; for 96h;	62%

: 186581-53-3, 908094-01-9
diazomethane

: 30828-09-2
4-ketododecanedioic acid

: 30828-10-5
4-ketododecanedioic acid dimethyl ester

4-Oxododecanedioic acid Specification

The 4-Oxododecanedioic acid, with the CAS registry number 30828-09-2.It belongs to the product Organic matters,medicines and drugs.This chemical's molecular formula is C₁₂H₂₀O₅and molecular weight is 244.28. What's more,Its systematic name is 4-Oxododecanedioic acid.

Physical properties about 4-Oxododecanedioic acid are: (1)ACD/LogP: 1.13±0.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.48; (4)ACD/LogD (pH 7.4): -3.49; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 2.41; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 11; (12)Index of Refraction: 1.483; (13)Molar Refractivity: 60.8±0.3 cm³; (14)Molar Volume: 213.0±3.0 cm³; (15)Surface Tension: 47.2±3.0 dyne/cm; (16)Density: 1.1±0.1 g/cm³ ; (17)Flash Point: 253.6±19.7 °C; (18)Enthalpy of Vaporization: 80.6±6.0 kJ/mol; (19)Boiling Point: 472.4±25.0 °C at 760 mmHg; (20)Vapour Pressure: 0.0±2.5 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:C(CCCC(=O)CCC(=O)O)CCCC(=O)O;
(2)Std. InChI:InChI=1S/C12H20O5/c13-10(8-9-12(16)17)6-4-2-1-3-5-7-11(14)15/h1-9H2,(H,14,15)(H,16,17);
(3)Std. InChIKey:HHXMOTDTSDYYEI-UHFFFAOYSA-N.

Product Name

4-Oxododecanedioic acid

Synthetic route

4-Oxododecanedioic acid Specification

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