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871-70-5

Basic Information
CAS No.: 871-70-5
Name: Octadecanedioic acid
Article Data: 36
Molecular Structure:
Molecular Structure of 871-70-5 (Octadecanedioic acid)
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
Synthetic route
10136-52-4

9-heptadecenoic acid

201230-82-2

carbon monoxide

871-70-5

octadecanedioic acid

Conditions
ConditionsYield
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%
1002-25-1

octadeca-7,11-dienedioic acid

871-70-5

octadecanedioic acid

Conditions
ConditionsYield
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
ConditionsYield
With hydrogenchloride In water Heating;98%
1472-93-1

dimethyl 1,18-octadecanedioate

871-70-5

octadecanedioic acid

Conditions
ConditionsYield
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
ConditionsYield
With water; lithium hydroxide at 20℃; for 24h;81%
(saponification);
14811-95-1

eicosa-1,19-diene

871-70-5

octadecanedioic acid

Conditions
ConditionsYield
With chromium(VI) oxide; acetic acid
37688-96-3

1,14-dibromotetradecane

996-82-7

sodium diethylmalonate

871-70-5

octadecanedioic acid

Conditions
ConditionsYield
Beim Verseifen des Reaktionsprodukts und Erhitzen;
3155-42-8

18-hydroxystearic acid

871-70-5

octadecanedioic acid

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
With sodium; hydrazine hydrate; ethylene glycol
With hydrogenchloride; amalgamated zinc; acetic acid
With sodium hydroxide; hydrazine hydrate; diethylene glycol
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    Name Octadecanedioic acid Molecular Structure Molecular Formula C18H34O4 Molecular Weight

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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.

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