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| CAS No.: | 1852-04-6 |
|---|---|
| Name: | Undecanedioic acid |
| Molecular Structure: | |
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| Formula: | C11H20O4 |
| Molecular Weight: | 216.277 |
| Synonyms: | 1,9-Nonanedicarboxylicacid;Hendecanedioic acid;NSC 400241; |
| EINECS: | 217-440-6 |
| Density: | 1.084 g/cm3 |
| Melting Point: | 108-110 °C(lit.) |
| Boiling Point: | 400.1 °C at 760 mmHg |
| Flash Point: | 209.9 °C |
| Solubility: | methanol: 10 mg/mL, clear |
| Appearance: | white to light yellow powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 74.60000 |
| LogP: | 2.66650 |
| Conditions | Yield |
|---|---|
| With chromium(VI) oxide; periodic acid In water; acetonitrile at 0 - 5℃; for 1.25h; | 90% |
| With sodium bromate; hydrogen bromide; tert-butyl alcohol In tetrachloromethane; water for 2h; Ambient temperature; | 75% |
| Oxydation; |
Methyl 11-nitroundecanoate
undecanedioic acid
| Conditions | Yield |
|---|---|
| With hydrogenchloride In water for 4h; Nef reaction; Reflux; | 79% |
| Conditions | Yield |
|---|---|
| With HeMaRaphos; water; toluene-4-sulfonic acid; palladium dichloride In tetrahydrofuran at 125℃; under 30003 Torr; for 24h; Autoclave; Green chemistry; regioselective reaction; | 63% |
| Conditions | Yield |
|---|---|
| With porcine liver esterase; sodium hydroxide; phosphate buffer for 6h; | 49% |
| Conditions | Yield |
|---|---|
| With recombinant escherichia coli BL21(DE3); Tween 84 In aq. buffer at 35℃; for 2h; pH=8; Enzymatic reaction; | 36% |
| Conditions | Yield |
|---|---|
| With chromium(VI) oxide; acetic acid |
| Conditions | Yield |
|---|---|
| With potassium permanganate; acetone | |
| With ozone |
| Conditions | Yield |
|---|---|
| With alkaline KMNO4 | |
| With recombinant escherichia coli BL21(DE3); Tween 82 In aq. buffer at 35℃; for 2h; pH=8; Enzymatic reaction; |
| Conditions | Yield |
|---|---|
| With nitric acid | |
| With ammonium vanadate; nitric acid | |
| With nitric acid |
methyl 12-hydroxyoctadecanoate
undecanedioic acid
| Conditions | Yield |
|---|---|
| With ammonium vanadate; nitric acid; copper |
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The Undecanedioic acid with the CAS number 1852-04-6 is also called 1,9-Nonanedicarboxylicacid. Its molecular formula is C11H20O4. The EINECS registry number is 217-440-6. This chemical belongs to the following product categories: (1)alpha,omega-Alkanedicarboxylic Acids; (2)alpha,omega-Bifunctional Alkanes; (3)Monofunctional & alpha,omega-Bifunctional Alkanes. It is white to light yellow powder.
The properties of the Undecanedioic acid are: (1)ACD/LogP: 2.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.8; (4)ACD/LogD (pH 7.4): -2.22; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 12.18; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.475; (14)Molar Refractivity: 56.13 cm3; (15)Molar Volume: 199.3 cm3; (16)Polarizability: 22.25×10-24cm3; (17)Surface Tension: 43.9 dyne/cm; (18)Enthalpy of Vaporization: 71.43 kJ/mol; (19)Vapour Pressure: 1.61×10-7 mmHg at 25°C.
Preparation: This chemical can be prepared by 11-hydroxy-undecanoic acid. This reaction needs reagent chromium trioxide and glacial acetic acid.
Uses: This chemical can react with deca-3,5,7-triene-1,10-diol to prepare 1,12-dioxa-cyclotricosa-4,6,8-triene-13,23-dione. This reaction needs heating. The yield is 20%.
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While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCCCCCCCCC(=O)O
(2)InChI: InChI=1/C11H20O4/c12-10(13)8-6-4-2-1-3-5-7-9-11(14)15/h1-9H2,(H,12,13)(H,14,15)
(3)InChIKey: LWBHHRRTOZQPDM-UHFFFAOYAZ
