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| CAS No.: | 871-70-5 |
|---|---|
| Name: | Octadecanedioic acid |
| Article Data: | 36 |
| Molecular Structure: | |
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| Formula: | C18H34O4 |
| Molecular Weight: | 314.466 |
| Synonyms: | 1,16-Dicarboxyhexadecane;1,16-Hexadecanedicarboxylic acid;1,18-Octadecanedioic acid;Emerox 118; |
| Density: | 0.998 g/cm3 |
| Melting Point: | 125 °C |
| Boiling Point: | 480.9 °C at 760 mmHg |
| Flash Point: | 258.8 °C |
| Solubility: | 148.5μg/L at 25℃ |
| Appearance: | white crystalline powder |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 74.60000 |
| LogP: | 5.39720 |
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
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| Conditions | Yield |
|---|---|
| With sulfuric acid; α,α′-bis(2-pyridyl(tert-butyl)phosphino)-o-xylene; water; palladium(II) acetylacetonate; acetic acid at 20 - 100℃; under 30003 Torr; for 20h; Inert atmosphere; Autoclave; | 99% |
| Conditions | Yield |
|---|---|
| With palladium on activated charcoal; hydrogen In methanol at 40℃; for 12h; Solvent; Time; | 99% |
- 81393-30-8
C26H42O8
- 871-70-5
octadecanedioic acid
| Conditions | Yield |
|---|---|
| With hydrogenchloride In water Heating; | 98% |
| Conditions | Yield |
|---|---|
| With methanol; water; sodium hydroxide at 50℃; for 24h; Reagent/catalyst; Temperature; | 92% |
| With sodium hydroxide In methanol | |
| With water at 100 - 225℃; under 18617.8 Torr; for 8h; Temperature; Sealed tube; Inert atmosphere; |
- 72849-35-5
1,18-octadecanedioic acid monomethyl ester
- 871-70-5
octadecanedioic acid
| Conditions | Yield |
|---|---|
| With water; lithium hydroxide at 20℃; for 24h; | 81% |
| (saponification); |
- 14811-95-1
eicosa-1,19-diene
- 871-70-5
octadecanedioic acid
| Conditions | Yield |
|---|---|
| With chromium(VI) oxide; acetic acid |
| Conditions | Yield |
|---|---|
| Beim Verseifen des Reaktionsprodukts und Erhitzen; |
| Conditions | Yield |
|---|---|
| With potassium dichromate; sulfuric acid at 125℃; |
- 1472-93-1
dimethyl 1,18-octadecanedioate
A
- 871-70-5
octadecanedioic acid
B
- 72849-35-5
1,18-octadecanedioic acid monomethyl ester
| Conditions | Yield |
|---|---|
| With methanol; potassium hydroxide | |
| With methanol; barium dihydroxide at 40 - 50℃; |
- 872824-69-6
5,14-dioxo-octadecanedioic acid
- 871-70-5
octadecanedioic acid
| Conditions | Yield |
|---|---|
| With sodium; hydrazine hydrate; ethylene glycol | |
| With hydrogenchloride; amalgamated zinc; acetic acid | |
| With sodium hydroxide; hydrazine hydrate; diethylene glycol |
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Specification
This chemical is called Octadecanedioic acid, and it can also be named as 1,18-Octadecanedioic acid. With the CAS registry number of 871-70-5, its product categories are Alpha,Omega-Alkane Dicarboxylic Acids; Alpha, Omega-Bifunctional Alkanes; Monofunctional & Alpha,Omega-Bifunctional Alkanes. Additionally, this chemical is white crystalline powder.
Other characteristics of the Octadecanedioic acid can be summarised as followings: (1)ACD/LogP: 6.11; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.52; (4)ACD/LogD (pH 7.4): 1.5; (5)ACD/BCF (pH 5.5): 666.11; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1288.87; (8)ACD/KOC (pH 7.4): 1.22; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 17; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.474; (14)Molar Refractivity: 88.56 cm3; (15)Molar Volume: 314.9 cm3; (16)Polarizability: 35.11×10-24cm3; (17)Surface Tension: 39.9 dyne/cm; (18)Density: 0.998 g/cm3; (19)Flash Point: 258.8 °C; (20)Enthalpy of Vaporization: 81.66 kJ/mol; (21)Boiling Point: 480.9 °C at 760 mmHg; (22)Vapour Pressure: 1.43E-10 mmHg at 25°C.
Production method of this chemical: The Octadecanedioic acid could be obtained by the reactant of C26H42O8. This reaction needs the reagent of conc. HCl, and the solvent of H2O. The yield is 98 %. The other condition is heating.
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When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing when you use it. In case of contacting with eyes, 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)CCCCCCCCCCCCCCCCC(=O)O
2.InChI: InChI=1/C18H34O4/c19-17(20)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(21)22/h1-16H2,(H,19,20)(H,21,22)
3.InChIKey: BNJOQKFENDDGSC-UHFFFAOYAE