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Undecanedioic acid

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Name

Undecanedioic acid

EINECS 217-440-6
CAS No. 1852-04-6 Density 1.084 g/cm3
PSA 74.60000 LogP 2.66650
Solubility methanol: 10 mg/mL, clear Melting Point 108-110 °C(lit.)
Formula C11H20O4 Boiling Point 400.1 °C at 760 mmHg
Molecular Weight 216.277 Flash Point 209.9 °C
Transport Information N/A Appearance white to light yellow powder
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 1852-04-6 (Undecanedioic acid) Hazard Symbols IrritantXi
Synonyms

1,9-Nonanedicarboxylicacid;Hendecanedioic acid;NSC 400241;

Article Data 64

Undecanedioic acid Synthetic route

3669-80-5

11-hydroxyundecanoic acid

1852-04-6

undecanedioic acid

Conditions
ConditionsYield
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;
128224-90-8

Methyl 11-nitroundecanoate

1852-04-6

undecanedioic acid

Conditions
ConditionsYield
With hydrogenchloride In water for 4h; Nef reaction; Reflux;79%
201230-82-2

carbon monoxide

22104-79-6

non-2-en-1-ol

1852-04-6

undecanedioic acid

Conditions
ConditionsYield
With HeMaRaphos; water; toluene-4-sulfonic acid; palladium dichloride In tetrahydrofuran at 125℃; under 30003 Torr; for 24h; Autoclave; Green chemistry; regioselective reaction;63%
4567-98-0

dimethyl undecanedioate

1852-04-6

undecanedioic acid

Conditions
ConditionsYield
With porcine liver esterase; sodium hydroxide; phosphate buffer for 6h;49%
141-22-0

Ricinoleic acid

1852-04-6

undecanedioic acid

Conditions
ConditionsYield
With recombinant escherichia coli BL21(DE3); Tween 84 In aq. buffer at 35℃; for 2h; pH=8; Enzymatic reaction;36%
878-13-7

cycloundecanone

1852-04-6

undecanedioic acid

Conditions
ConditionsYield
With chromium(VI) oxide; acetic acid
2463-07-2

docos-11-enoic acid methyl ester

1852-04-6

undecanedioic acid

Conditions
ConditionsYield
With potassium permanganate; acetone
With ozone
106-14-9

12-Hydroxystearic acid

1852-04-6

undecanedioic acid

Conditions
ConditionsYield
With alkaline KMNO4
With recombinant escherichia coli BL21(DE3); Tween 82 In aq. buffer at 35℃; for 2h; pH=8; Enzymatic reaction;
106-14-9

12-Hydroxystearic acid

A

1852-04-6

undecanedioic acid

B

693-23-2

1,12-dodecanedioic acid

Conditions
ConditionsYield
With nitric acid
With ammonium vanadate; nitric acid
With nitric acid
6114-39-2, 7309-59-3, 82008-61-5, 141-23-1

methyl 12-hydroxyoctadecanoate

1852-04-6

undecanedioic acid

Conditions
ConditionsYield
With ammonium vanadate; nitric acid; copper

Undecanedioic acid Specification

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%.

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

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