Octadecanedioic acid supplier

Name
Octadecanedioic acid
EINECS
CAS No. 871-70-5
Article Data36
CAS DataBase
Density 0.998 g/cm³
Solubility 148.5μg/L at 25℃
Melting Point 125 °C
Formula C₁₈H₃₄O₄
Boiling Point 480.9 °C at 760 mmHg
Molecular Weight 314.466
Flash Point 258.8 °C
Transport Information
Appearance white crystalline powder
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
Synonyms 1,16-Dicarboxyhexadecane;1,16-Hexadecanedicarboxylic acid;1,18-Octadecanedioic acid;Emerox 118;
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

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%

: 1002-25-1
octadeca-7,11-dienedioic acid

: 871-70-5
octadecanedioic acid

Conditions

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

Conditions	Yield
With hydrogenchloride In water Heating;	98%

: 1472-93-1
dimethyl 1,18-octadecanedioate

: 871-70-5
octadecanedioic acid

Conditions

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

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

Conditions	Yield
With chromium(VI) oxide; acetic acid

: 37688-96-3
1,14-dibromotetradecane

: 996-82-7
sodium diethylmalonate

: 871-70-5
octadecanedioic acid

Conditions

Conditions	Yield
Beim Verseifen des Reaktionsprodukts und Erhitzen;

: 3155-42-8
18-hydroxystearic acid

: 871-70-5
octadecanedioic acid

Conditions

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

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

Conditions	Yield
With sodium; hydrazine hydrate; ethylene glycol
With hydrogenchloride; amalgamated zinc; acetic acid
With sodium hydroxide; hydrazine hydrate; diethylene glycol

: 109094-90-8
6,13-dioxo-octadecanedioic acid

: 871-70-5
octadecanedioic acid

Conditions

Conditions	Yield
With potassium hydroxide; hydrazine hydrate; diethylene glycol at 200℃;

: 6907-37-5
cyclooctadecanone

: 871-70-5
octadecanedioic acid

Conditions

Conditions	Yield
With chromium(VI) oxide; acetic acid

: 112-05-0
nonanoic acid

: 871-70-5
octadecanedioic acid

: 7735-45-7
1,16-dicyanododecane

: 871-70-5
octadecanedioic acid

Conditions

Conditions	Yield
With sulfuric acid; acetic anhydride In water Heating;

: 102175-43-9
octadec-7-ynedioic acid

: 871-70-5
octadecanedioic acid

Conditions

Conditions	Yield
With hydrogen; nickel
With hydrogen; platinum

: 21551-67-7
Dihydroardisiaquinone A

: 871-70-5
octadecanedioic acid

Conditions

Conditions	Yield
With potassium hydroxide; dihydrogen peroxide

: 57-57-8
β-Propiolactone

: 1,12-bis(bromomagnesio)dodecane

: 871-70-5
octadecanedioic acid

Conditions

Conditions	Yield
With dilithium tetrachlorocuprate In tetrahydrofuran at 0℃; for 3h;

: C18H28O6(2-)*2Na(1+)

: 871-70-5
octadecanedioic acid

Conditions

Conditions	Yield
With potassium hydroxide; hydrazine hydrate 1.) triethanolamine, 130 deg C; reflux, 4 h; 2.) triethanolamine, 200 deg C, 9 h; Multistep reaction;

4-oxo-hexadecane-dicarboxylic acid-(1.16): 4-oxo-hexadecane-dicarboxylic acid-(1.16)

: 871-70-5
octadecanedioic acid

Conditions

Conditions	Yield
With hydrogenchloride; amalgamated zinc

potassium salt of sebacic acid monoethyl ester: potassium salt of sebacic acid monoethyl ester

: 871-70-5
octadecanedioic acid

Conditions

Conditions	Yield
With water at 50℃; Electrolysis.und Verseifen des entstehenden Diaethylesters durch siedende, ueberschuessige alkoholische Kalilauge;

: 124-04-9
Adipic acid

disodium-salt of/the/ adipic acid: disodium-salt of/the/ adipic acid

: 871-70-5
octadecanedioic acid

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: thionyl chloride / 1 h / 50 °C 2: 1.) triethylamine; 2.) 20percent HCl / 1.) chloroform, 35 deg C, 5 h; 2.) chloroform, reflux, 5 h 3: sodium hydroxide / ethanol / 1 h / Heating 4: 1.) hydrazine hydrate; 2.) potassium hydroxide / 1.) triethanolamine, 130 deg C; reflux, 4 h; 2.) triethanolamine, 200 deg C, 9 h View Scheme

: 14208-97-0
1,6-Bis(2-oxocyclohexyl)-1,6-hexandion

: 871-70-5
octadecanedioic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: sodium hydroxide / ethanol / 1 h / Heating 2: 1.) hydrazine hydrate; 2.) potassium hydroxide / 1.) triethanolamine, 130 deg C; reflux, 4 h; 2.) triethanolamine, 200 deg C, 9 h View Scheme

: 111-50-2
Adipic acid dichloride

: 871-70-5
octadecanedioic acid

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 1.) triethylamine; 2.) 20percent HCl / 1.) chloroform, 35 deg C, 5 h; 2.) chloroform, reflux, 5 h 2: sodium hydroxide / ethanol / 1 h / Heating 3: 1.) hydrazine hydrate; 2.) potassium hydroxide / 1.) triethanolamine, 130 deg C; reflux, 4 h; 2.) triethanolamine, 200 deg C, 9 h View Scheme

: 111-19-3
sebacoyl chloride

: 871-70-5
octadecanedioic acid

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: benzene / Hydrieren des Reaktionsprodukts an Palladium/Strontiumcarbonat in Butanon und erwaermen des Reaktionsgemisches. 2: aq.-ethanolic NaOH-solution 3: sodium hydroxide; diethylene glycol; hydrazine hydrate View Scheme
Multi-step reaction with 3 steps 1: benzene / Hydrieren des Reaktionsprodukts an Palladium/Strontiumcarbonat in Butanon; Erwaermen des Reaktionsgemisches. 2: aq.-ethanolic NaOH-solution 3: sodium hydroxide; diethylene glycol; hydrazine hydrate View Scheme

: 5,14-dioxo-octadecanedinitrile

: 871-70-5
octadecanedioic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: aq.-ethanolic NaOH-solution 2: sodium hydroxide; diethylene glycol; hydrazine hydrate View Scheme

: 1071-71-2
ethyl 6-chloro-6-oxohexanoate

: 871-70-5
octadecanedioic acid

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: benzene 2: aq. NaOH solution 3: hydrazine hydrate; potassium hydroxide; diethylene glycol / 200 °C View Scheme

: 25077-25-2
N-methyladipinimide

: 871-70-5
octadecanedioic acid

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: diethyl ether / Erwaermen des Reaktionsprodukts mit Benzol 2: aqueous sulfuric acid 3: ethylene glycol; sodium; hydrazine hydrate View Scheme

: 19812-64-7
1,14-tetradecanediol

: 871-70-5
octadecanedioic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: HBr / 130 - 150 °C 2: Beim Verseifen des Reaktionsprodukts und Erhitzen View Scheme

: 1,13-dimethoxy-tetradecane

: 871-70-5
octadecanedioic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: HBr / 130 - 150 °C 2: Beim Verseifen des Reaktionsprodukts und Erhitzen View Scheme

: 67-56-1
methanol

: 871-70-5
octadecanedioic acid

: 1472-93-1
dimethyl 1,18-octadecanedioate

Conditions

Conditions	Yield
With sulfuric acid for 16h; Reflux;	99%
With sulfuric acid for 2h; Heating;	97%
With sulfuric acid Reflux;	97%

: 871-70-5
octadecanedioic acid

: 3155-43-9
octadecane-1,18-diol

Conditions

Conditions	Yield
With lithium aluminium tetrahydride In tetrahydrofuran for 4h; Reflux;	94%
Stage #1: octadecanedioic acid With lithium aluminium tetrahydride In tetrahydrofuran at 0℃; for 125h; Inert atmosphere; Reflux; Stage #2: With water; sodium hydroxide In tetrahydrofuran pH=Ca. 10; Inert atmosphere;	77%
Multi-step reaction with 2 steps 1: 97 percent / H2SO4 / 2 h / Heating 2: 82 percent / Red-Al / tetrahydrofuran / 3 h / 20 °C View Scheme

: 871-70-5
octadecanedioic acid

A: 544-76-3
Hexadecane

B: 201230-82-2
carbon monoxide

Conditions

Conditions	Yield
With hydrogen at 200℃; under 7500.75 Torr; for 24h; Microwave irradiation;	A 92% B n/a

: 871-70-5
octadecanedioic acid

: 518-28-5
podofilox

: C62H74O18

Conditions

Conditions	Yield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; for 6h; Inert atmosphere;	88%

: 871-70-5
octadecanedioic acid

: 100-51-6
benzyl alcohol

: 18-(benzyloxy)-18-oxooctadecanoic acid

Conditions

Conditions	Yield
With sulfuric acid In toluene Reagent/catalyst; Reflux;	88%

: 871-70-5
octadecanedioic acid

: 104-15-4
toluene-4-sulfonic acid

: 1,16-hexadecyldiammonium ditosylate

Conditions

Conditions	Yield
Stage #1: octadecanedioic acid With sodium azide; sulfuric acid In chloroform at 50℃; for 2h; Schmidt Reaction; Stage #2: toluene-4-sulfonic acid	87%

: 871-70-5
octadecanedioic acid

: oxacyclononadecane-2,19-dione

Conditions

Conditions	Yield
With acetic anhydride In dichloromethane at 20℃; for 3h;	77%

: 7-[4-(2-chloroacetyl) piperazin-1-yl]-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid

: 871-70-5
octadecanedioic acid

: 1350462-78-0
C56H70F2N6O12

Conditions

Conditions	Yield
Stage #1: octadecanedioic acid With caesium carbonate In N,N-dimethyl-formamide at 50℃; for 1h; Stage #2: 7-[4-(2-chloroacetyl) piperazin-1-yl]-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid With tetra-(n-butyl)ammonium iodide In N,N-dimethyl-formamide at 50℃; for 72h;	70%

: 871-70-5
octadecanedioic acid

: 33069-62-4
taxol

: C65H83NO17

Conditions

Conditions	Yield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane; N,N-dimethyl-formamide at 0 - 20℃; Inert atmosphere;	60%

: 871-70-5
octadecanedioic acid

: 1354944-97-0
C38H67N5O24

: C94H164N10O50

Conditions

Conditions	Yield
Stage #1: octadecanedioic acid With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In dimethyl sulfoxide for 0.166667h; Stage #2: C38H67N5O24 In dimethyl sulfoxide at 20℃; for 3h;	59%

: 871-70-5
octadecanedioic acid

: 100-39-0
benzyl bromide

: 18-(benzyloxy)-18-oxooctadecanoic acid

Conditions

Conditions	Yield
With potassium hydrogencarbonate In 2-methyltetrahydrofuran; water at 75℃; for 30h;	58.2%

: 871-70-5
octadecanedioic acid

: 36805-97-7
N,N-dimethylformamide di-tert-butyl acetal

: 843666-40-0
1,18-octadecanedioic acid mono-tert-butyl ester

Conditions

Conditions	Yield
In toluene Concentration; Reflux;	57.4%
In n-heptane; dichloromethane; toluene

: 183133-96-2
carbazitaxel

: 871-70-5
octadecanedioic acid

: C108H144N2O30

Conditions

Conditions	Yield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 25℃; for 24h;	56.5%

: 871-70-5
octadecanedioic acid

: 85721-33-1
ciprofloxacin

: 1350462-72-4
C52H66F2N6O8

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; for 4h;	53%

: 871-70-5
octadecanedioic acid

: (6aR)-O10-(3-aminopropyl)apomorphine dihydrochloride

: 76-05-1
trifluoroacetic acid

: N1,N18-bis(3-(6aR)-(apomorphin-O10-yl)propyl)octadecanediamide ditrifluoroacetate

Conditions

Conditions	Yield
Stage #1: octadecanedioic acid; (6aR)-O10-(3-aminopropyl)apomorphine dihydrochloride With (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 2h; Inert atmosphere; Stage #2: trifluoroacetic acid In water; acetonitrile	42%

...Expand

: 13154-24-0
triisopropylsilyl chloride

: 871-70-5
octadecanedioic acid

: octadecanedioic acid mono-triisopropylsilyl ester

Conditions

Conditions	Yield
With triethylamine In N,N-dimethyl-formamide at 60℃; Inert atmosphere;	41%
With triethylamine In N,N-dimethyl-formamide at 60℃; Inert atmosphere;	41%

: 6066-82-6
1-hydroxy-pyrrolidine-2,5-dione

: 871-70-5
octadecanedioic acid

: N-(17-carboxyheptadecanoyloxy)-succinimide

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In tetrahydrofuran for 0.5h;	40%

: 871-70-5
octadecanedioic acid

: 6-(3-isopropyl-5-(piperidin-4-yl)-1H-indol-2-yl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine

: 1,18-bis(4-(3-isopropyl-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-indol-5-yl)piperidin-1-yl)octadecane-1,18-dione

Conditions

Conditions	Yield
Stage #1: octadecanedioic acid With N-ethyl-N,N-diisopropylamine; HATU In N,N-dimethyl-formamide for 0.5h; Stage #2: 6-(3-isopropyl-5-(piperidin-4-yl)-1H-indol-2-yl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine In N,N-dimethyl-formamide for 2h;	35.5%

: 871-70-5
octadecanedioic acid

: 100-51-6
benzyl alcohol

A: 18-(benzyloxy)-18-oxooctadecanoic acid

B: dibenzyl octadecanedioate

Conditions

Conditions	Yield
Stage #1: octadecanedioic acid With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In tetrahydrofuran at 0℃; Stage #2: benzyl alcohol In tetrahydrofuran at 0 - 20℃; for 16h;	A 28% B 38 %Chromat.

...Expand

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

: 871-70-5
octadecanedioic acid

: 23550-16-5
9,10-dibromo-octadecanedioic acid dimethyl ester

: 106-44-5
p-cresol

: 871-70-5
octadecanedioic acid

: 119039-48-4
octadecanedioic acid di-p-tolyl ester

Conditions

Conditions	Yield
With naphthalene-2-sulfonate; xylene Entfernen des entstehenden H2O;

: 112-47-0
1,10-Decanediol

: 871-70-5
octadecanedioic acid

: 1,12-dioxa-cyclotriacontane-13,30-dione

Conditions

Conditions	Yield
at 200℃; under 2 Torr; Erhitzen des Reaktionsprodukts mit wenig Zinn(II)-chlorid-dihydrat unter 1 Torr auf 270grad;

Octadecanedioic acid 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

Product Name

Octadecanedioic acid

Synthetic route

Octadecanedioic acid Specification

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