Decanedioic acid,1-methyl ester supplier

Name
SEBACIC ACID MONOMETHYL ESTER
EINECS 212-458-0
CAS No. 818-88-2
Article Data49
CAS DataBase
Density 1.024 g/cm³
Solubility
Melting Point 41-44 °C(lit.)
Formula C₁₁H₂₀O₄
Boiling Point 336 °C at 760 mmHg
Molecular Weight 216.277
Flash Point 119 °C
Transport Information
Appearance White crystalline solid
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Decanedioicacid, monomethyl ester (9CI);Sebacic acid, methyl ester (6CI,7CI);Sebacicacid, monomethyl ester (8CI);9-(Carbomethoxy)nonanoic acid;9-(Methoxycarbonyl)nonanoic acid;Decanedioic acid methyl hydrogen ester;Methyl 9-carboxynonanoate;Methyl hydrogen sebacate;Monomethyl decanedioate;Monomethyl sebacate;
PSA 63.60000
LogP 2.36480

Synthetic route

: 67-56-1
methanol

: 111-20-6
1,10-decanedioic acid

: 818-88-2
sebacic acid mono methyl ester

Conditions

Conditions	Yield
With sulfonated poly-divinylbenzene-co-triallylamine at 24.84℃; for 12h;	97%
With hydrogenchloride at 170℃; for 12h;	38%
With sulfuric acid at 75 - 80℃;

: 106-79-6
dimethyl sebacate

: 818-88-2
sebacic acid mono methyl ester

Conditions

Conditions	Yield
With sodium hydroxide; phosphate buffer for 3h; Ambient temperature; pig liver esterase;	93%
With potassium hydroxide In methanol; diethyl ether; acetonitrile at 0℃; for 54h;	85%
With barium dihydroxide In methanol for 17h;	58%

: 111-81-9
Methyl 10-undecenoate

: 818-88-2
sebacic acid mono methyl ester

Conditions

Conditions	Yield
With potassium permanganate; silica gel In benzene	85%
Stage #1: Methyl 10-undecenoate With ozone In tetrahydrofuran at 0℃; Stage #2: With semicarbazide hydrochloride In tetrahydrofuran at 0 - 20℃; Solvent; Inert atmosphere;	84%

: Decanedioic acid methyl ester 2,2,2-trichloro-ethyl ester

: 818-88-2
sebacic acid mono methyl ester

Conditions

Conditions	Yield
With tellurium; sodium tetrahydroborate In N,N-dimethyl-formamide Ambient temperature;	82%

: 111-81-9
Methyl 10-undecenoate

A: 818-88-2
sebacic acid mono methyl ester

B: methyl 10-(hydroxyimino)decanoate

Conditions

Conditions	Yield
Stage #1: Methyl 10-undecenoate With ozone In tetrahydrofuran at 0℃; Stage #2: With hydroxylamine hydrochloride In tetrahydrofuran at 0 - 20℃; Inert atmosphere;	A 82% B 12%

: 111-20-6
1,10-decanedioic acid

: 623-42-7
butanoic acid methyl ester

: 818-88-2
sebacic acid mono methyl ester

Conditions

Conditions	Yield
With DOWEX 50W-X2 In Petroleum ether for 4h; Heating;	58%

: 111-81-9
Methyl 10-undecenoate

A: 14811-73-5
10-oxo-decanoic acid methyl ester

B: 24724-06-9
methyl 10,11-dihydroxyundecanoate

C: 818-88-2
sebacic acid mono methyl ester

D: 56078-11-6
Methyl-10-keto-11-hydroxyundecanoat

Conditions

Conditions	Yield
With ruthenium trichloride; Oxone; sodium hydrogencarbonate In water; acetonitrile at 20℃; for 1.1h; Product distribution; Further Variations:; Solvents; Reagents;	A 12% B 44% C 7% D 21%

...Expand

: 111-81-9
Methyl 10-undecenoate

: 67-63-0
isopropyl alcohol

A: 53663-26-6
9-cyanononanoic acid methyl ester

B: 818-88-2
sebacic acid mono methyl ester

C: methyl isopropyl sebacate

Conditions

Conditions	Yield
Stage #1: Methyl 10-undecenoate; isopropyl alcohol With ozone at 0℃; Stage #2: With hydroxylamine hydrochloride at 0 - 20℃; Inert atmosphere;	A 30% B 40% C 20%

...Expand

: 111-81-9
Methyl 10-undecenoate

A: 53663-26-6
9-cyanononanoic acid methyl ester

B: 818-88-2
sebacic acid mono methyl ester

C: methyl 10-(hydroxyimino)decanoate

Conditions

Conditions	Yield
Stage #1: Methyl 10-undecenoate With ozone; acetic acid In dichloromethane at 0℃; Stage #2: With hydroxylamine hydrochloride In dichloromethane at 0 - 20℃; Inert atmosphere;	A 13% B 18% C 16%

...Expand

: 67-56-1
methanol

: 111-20-6
1,10-decanedioic acid

A: 818-88-2
sebacic acid mono methyl ester

B: 106-79-6
dimethyl sebacate

Conditions

Conditions	Yield
With sulfuric acid
With hydrogenchloride
With naphthalene-2-sulfonate

...Expand

: 67-56-1
methanol

A: 818-88-2
sebacic acid mono methyl ester

B: 106-79-6
dimethyl sebacate

Conditions

Conditions	Yield
Kochen bei der Destillation von Sebacinsaeure verbleibenden Rueckstandes;

: 111-20-6
1,10-decanedioic acid

: 106-79-6
dimethyl sebacate

: 818-88-2
sebacic acid mono methyl ester

Conditions

Conditions	Yield
at 300℃;

: 14811-73-5
10-oxo-decanoic acid methyl ester

: 818-88-2
sebacic acid mono methyl ester

Conditions

Conditions	Yield
Oxydation an der Luft;

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

: 111-20-6
1,10-decanedioic acid

: 818-88-2
sebacic acid mono methyl ester

Conditions

Conditions	Yield
With aluminum oxide In cyclohexane; N,N-dimethyl-formamide Product distribution; study of selectivity of methylation on alumina surface;

: 78-77-3
Isobutyl bromide

: 14065-32-8
methyl 10-chloro-10-oxodecanoate

A: 818-88-2
sebacic acid mono methyl ester

B: 106-79-6
dimethyl sebacate

C: 692-88-6
Decandisaeureethylmethylester

D: 95799-78-3
10-Keto-12-methyltridecansaeuremethylester

Conditions

Conditions	Yield
Yield given. Multistep reaction;

...Expand

: (10Z,13Z)-Hexadeca-10,13-dienoic acid methyl ester

: 818-88-2
sebacic acid mono methyl ester

Conditions

Conditions	Yield
With potassium permanganate; sodium periodate; potassium carbonate In water; tert-butyl alcohol for 12h; Ambient temperature;	30 mg

: 67-56-1
methanol

: 112-38-9
10-undecenoic acid

: 818-88-2
sebacic acid mono methyl ester

Conditions

Conditions	Yield
solid phase synthesis; Yield given. Multistep reaction;

: 67-56-1
methanol

: 13154-30-8
α-nitrocyclodecanone

: 818-88-2
sebacic acid mono methyl ester

Conditions

Conditions	Yield
With Oxone; potassium hydroxide; sodium hydroxide; disodium hydrogenphosphate; water 1.) 65 deg C, 4 h, 2.) r.t., 4 h; Yield given. Multistep reaction;

: 111-20-6
1,10-decanedioic acid

MeX: MeX

: 818-88-2
sebacic acid mono methyl ester

sebacaldehydic acid methyl ester: sebacaldehydic acid methyl ester

: 818-88-2
sebacic acid mono methyl ester

Conditions

Conditions	Yield
Durch Oxydation an der Luft;

sebacic acid dimethyl ester: sebacic acid dimethyl ester

: 818-88-2
sebacic acid mono methyl ester

Conditions

Conditions	Yield
With potassium hydroxide

: 111-20-6
1,10-decanedioic acid

sebacic acid dimethyl ester: sebacic acid dimethyl ester

: 818-88-2
sebacic acid mono methyl ester

: 67-56-1
methanol

: 111-20-6
1,10-decanedioic acid

sebacic acid dimethyl ester: sebacic acid dimethyl ester

: 818-88-2
sebacic acid mono methyl ester

Conditions

Conditions	Yield
With naphthalene-2-sulfonate; water

...Expand

: 111-81-9
Methyl 10-undecenoate

: 10028-15-6
ozone

: 64-19-7
acetic acid

A: 818-88-2
sebacic acid mono methyl ester

B 9-oxo-nonane-carboxylic acid-(1)-methyl ester: 9-oxo-nonane-carboxylic acid-(1)-methyl ester

Conditions

Conditions	Yield
Behandlung der mit Wasser und Aether verduenten Loesung mit Zinkstaub;

...Expand

: 111-20-6
1,10-decanedioic acid

: 818-88-2
sebacic acid mono methyl ester

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: H2SO4 / Heating 2: Ba(OH)2 / methanol / 20 h / 20 °C View Scheme
Multi-step reaction with 2 steps 1: 90.8 percent / conc.H2SO4 / 4 h / Heating 2: 80.7 percent Turnov. / Ba(OH)2*8H2O / methanol; benzene / 20 h / Ambient temperature View Scheme

: 111-20-6
1,10-decanedioic acid

lime/chalk/: lime/chalk/

: 818-88-2
sebacic acid mono methyl ester

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: concd. H2SO4 / 3 h / Heating 2: Ba(OH)2 / methanol / 24 h / Ambient temperature View Scheme

: 123-91-1
1,4-dioxane

Re2 O7: Re2 O7

: 111-81-9
Methyl 10-undecenoate

: 7722-84-1
dihydrogen peroxide

: 818-88-2
sebacic acid mono methyl ester

Conditions

Conditions	Yield
With acetic anhydride

...Expand

Re2 O7: Re2 O7

: 111-81-9
Methyl 10-undecenoate

: 7722-84-1
dihydrogen peroxide

: 818-88-2
sebacic acid mono methyl ester

Conditions

Conditions	Yield
In acetic acid

...Expand

aqueous sodium sulphite: aqueous sodium sulphite

: 111-81-9
Methyl 10-undecenoate

A: 24724-06-9
methyl 10,11-dihydroxyundecanoate

B: 818-88-2
sebacic acid mono methyl ester

...Expand

: 818-88-2
sebacic acid mono methyl ester

: 14065-32-8
methyl 10-chloro-10-oxodecanoate

Conditions

Conditions	Yield
With thionyl chloride at 50℃; for 3h;	98%
With thionyl chloride for 2h; Heating;	95%
With oxalyl dichloride for 2h; Heating;	94%

: 818-88-2
sebacic acid mono methyl ester

: Didemethylclomipramine

: methyl 10-((3-(3-chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl)amino)-10-oxodecan-oate

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 5h;	95%

: 818-88-2
sebacic acid mono methyl ester

: 136817-55-5
1-(5-Aminoindolyl-2-carbonyl]-4-(3-(1-methylethyl)amino-2-pyridinyl)piperazine

: 174502-04-6
9-{2-[4-(3-Isopropylamino-pyridin-2-yl)-piperazine-1-carbonyl]-1H-indol-5-ylcarbamoyl}-nonanoic acid methyl ester

Conditions

Conditions	Yield
With diethyl cyanophosphonate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide for 30h; Ambient temperature;	93%

: 818-88-2
sebacic acid mono methyl ester

A: 112-47-0
1,10-Decanediol

B: 2640-94-0
methyl 10-hydroxydecanoate

Conditions

Conditions	Yield
With water; Rh6(CO)16*Mo(CO)6 In 1,2-dimethoxyethane at 160℃; under 76000 Torr; for 16h;	A 6% B 91%

: 818-88-2
sebacic acid mono methyl ester

: 2640-94-0
methyl 10-hydroxydecanoate

Conditions

Conditions	Yield
With borane-THF In tetrahydrofuran Ambient temperature;	90%
With sodium tetrahydroborate; benzene-1,2-diol; trifluoroacetic acid In tetrahydrofuran at 25℃; for 12h;	89%
With diborane In tetrahydrofuran at -10℃; for 3h;	81%
With diborane In tetrahydrofuran
With sodium tetrahydroborate; iodine 1) THF, r.t. 2) THF, 1 h, 0 deg C; Yield given. Multistep reaction;

: 818-88-2
sebacic acid mono methyl ester

: 745795-94-2
2-(bis(4-methoxyphenyl)(phenyl)methoxy)-N-(2-((tert-butyldimethylsilyl)oxy)ethyl)ethan- 1-amine

: methyl 10-((2-(bis(4-methoxyphenyl)(phenyl)methoxy)ethyl)(2-((tert-butyldimethylsilyl)oxy)ethyl)amino)-10-oxodecanoate

Conditions

Conditions	Yield
With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 3h;	87%
With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 3h;	87%
With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 3h;	87%
With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 3h;	87%

: 818-88-2
sebacic acid mono methyl ester

: 62-53-3
aniline

: 64785-83-7
9-phenylcarbamoyl-nonanoic acid methyl ester

Conditions

Conditions	Yield
Stage #1: sebacic acid mono methyl ester With pyridine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane for 0.0833333h; Stage #2: aniline In dichloromethane at 20℃; for 19h;	83%

: 818-88-2
sebacic acid mono methyl ester

: 22457-33-6
methyl 9-chlorononanoate

Conditions

Conditions	Yield
With tert-butylhypochlorite; Ag(Phen)2OTf In acetonitrile at 45℃; for 27h; Inert atmosphere;	82%

: 818-88-2
sebacic acid mono methyl ester

: 75452-47-0
methyl 9-iodononanoate

Conditions

Conditions	Yield
With N-iodo-succinimide; iodine In 1,2-dichloro-ethane at 100℃; for 8h; Sealed tube; Darkness;	82%

: memantine hydrochloride

: 818-88-2
sebacic acid mono methyl ester

: rac-methyl 10-(((1r,3R,5S,7r)-3,5-dimethyladamantan-1-yl)amino)-10-oxodecanoate

Conditions

Conditions	Yield
Stage #1: memantine hydrochloride With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 0.5h; Inert atmosphere; Stage #2: sebacic acid mono methyl ester In N,N-dimethyl-formamide for 5h; Inert atmosphere;	81%

: 818-88-2
sebacic acid mono methyl ester

: 20731-23-1
methyl non-8-enoate

Conditions

Conditions	Yield
With bis(triphenylphosphine)iridium(I) carbonyl chloride; acetic anhydride; potassium iodide at 160℃; for 5h; Inert atmosphere;	80%
With carbon monoxide; 1,5-bis-(diphenylphosphino)pentane; acetic anhydride; potassium iodide; iron(II) chloride at 240℃; under 15201 Torr; for 3h;	62%
With pyridine; lead(IV) acetate; copper diacetate In benzene for 3h; Heating;	45%
With lead(IV) acetate

: 818-88-2
sebacic acid mono methyl ester

: 14811-73-5
10-oxo-decanoic acid methyl ester

Conditions

Conditions	Yield
With methylphenylsilane; 2,2-dimethylpropanoic anhydride; Tri(p-tolyl)phosphine; bis(dibenzylideneacetone)-palladium(0) In toluene at 80℃; for 20h; Schlenk technique; Inert atmosphere;	79%
With potassium phosphate; sodium hypophosphite; 2,2-dimethylpropanoic anhydride; palladium diacetate; tricyclohexylphosphine In tetrahydrofuran at 60℃; for 16h;	60%
Multi-step reaction with 2 steps 1: 90 percent / BH3*THF / tetrahydrofuran / Ambient temperature 2: 1.) oxalyl chloride, DMSO, 2.) Et3N / 1.) CH2Cl2, -78 deg C, 2 h, 2.) CH2Cl2, -78 deg C to room temp. View Scheme

: 848616-46-6
((3R,4S)-3,4-dimethylpyrrolidine-3,4-diyl)dimethanol

: 818-88-2
sebacic acid mono methyl ester

: racemic (cis) methyl 10-(3,4-bis(hydroxymethyl)-3,4-dimethylpyrrolidin-1-yl)-10-oxodecanoate

Conditions

Conditions	Yield
With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃;	77%
With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In dichloromethane	77%
With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In dichloromethane	61%

: 516-12-1
N-iodo-succinimide

: 818-88-2
sebacic acid mono methyl ester

: methyl 9-(2′,5′-dioxopyrrolidin-1′-yl)nonanoate

Conditions

Conditions	Yield
Stage #1: N-iodo-succinimide; sebacic acid mono methyl ester With iodine In 1,2-dichloro-ethane at 100℃; for 8h; Sealed tube; Darkness; Stage #2: With tetrabutylammomium bromide; potassium carbonate In acetone at 70℃; for 24h; Sealed tube;	75%

: 818-88-2
sebacic acid mono methyl ester

: 139030-05-0
9-Hydroperoxycarbonyl-nonanoic acid methyl ester

Conditions

Conditions	Yield
With sulfuric acid; dihydrogen peroxide at 10℃; for 1h;	74%

: 818-88-2
sebacic acid mono methyl ester

: 185990-03-8
dimethylphenyl(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)silane

: C19H30O3Si

Conditions

Conditions	Yield
With diethylzinc; 2,2-dimethylpropanoic anhydride; sodium hydride In hexane; 1,2-dichloro-ethane; toluene at 90℃; for 18h; Glovebox; Inert atmosphere;	74%

: 17639-64-4
N-p-toluenesulfonylpyrrole

: 818-88-2
sebacic acid mono methyl ester

: 10-oxo-10-[1-(toluene-4-sulfonyl)-1H-pyrrol-2-yl]-decanoic acid methyl ester

Conditions

Conditions	Yield
With trifluoroacetic anhydride In dichloromethane for 48h; Heating;	73%

: 818-88-2
sebacic acid mono methyl ester

: 913000-10-9
(2,4-bis(benzyloxy)-5-isopropylphenyl)(5-aminoisoindolin-2-yl)methanone

: methyl 10-((2-(2,4-bis(benzyloxy)-5-isopropylbenzoyl)isoindolin-5-yl) amino)-10-oxodecanoate

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 5h;	73%

: 818-88-2
sebacic acid mono methyl ester

: 71176-54-0
(3-amino-5-hydroxymethylphenyl)methanol

: methyl 10-((3,5-bis(hydroxymethyl)phenyl)amino)-10-oxodecanoate

Conditions

Conditions	Yield
With N-ethoxycarbonyl-2-ethoxy-1,2-dihydroquinoline In methanol; dichloromethane at 20℃; for 2h;	72%
With N-ethoxycarbonyl-2-ethoxy-1,2-dihydroquinoline In methanol; dichloromethane at 20℃; for 2h;	72%
With N-ethoxycarbonyl-2-ethoxy-1,2-dihydroquinoline In methanol; dichloromethane at 20℃; for 2h;	72%
With N-ethoxycarbonyl-2-ethoxy-1,2-dihydroquinoline In methanol; dichloromethane at 20℃; for 2h;	72%

: 818-88-2
sebacic acid mono methyl ester

: 35903-52-7, 128656-25-7, 132746-73-7, 108102-51-8
fumagillol

: 1399361-46-6
C27H44O7

Conditions

Conditions	Yield
Stage #1: sebacic acid mono methyl ester With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane at 20℃; for 2h; Stage #2: fumagillol; dmap In dichloromethane at 20℃;	67%

: 818-88-2
sebacic acid mono methyl ester

: 2,5-di-O-[(tert-butyl)dimethylsilyl]-1,3,4-trideoxy-1,4-imino-D-erythro-pentitol

: C28H57NO5Si2

Conditions

Conditions	Yield
With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃;	65%
With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate In N,N-dimethyl-formamide at 20℃;	65%
With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate In N,N-dimethyl-formamide at 20℃;	65%
With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃;	65%

: 818-88-2
sebacic acid mono methyl ester

: C17H39NO2Si2

: C28H57NO5Si2

Conditions

Conditions	Yield
With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃;	65%

: 1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylate ethyl ester

: 818-88-2
sebacic acid mono methyl ester

: ethyl 1-cyclopropyl-6-fluoro-7-[4-(10-methoxy-10-oxodecanoyl)piperazin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylate

Conditions

Conditions	Yield
Stage #1: sebacic acid mono methyl ester With pyridine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane for 0.0833333h; Stage #2: 1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylate ethyl ester In dichloromethane at 20℃; for 21h;	65%

Decanedioic acid,1-methyl ester Specification

The Decanedioic acid,1-methyl ester, with the CAS registry number 818-88-2 and EINECS registry number 212-458-0, has the systematic name of 10-ethoxy-10-oxodecanoic acid. It belongs to the product category of Miscellaneous. And the molecular formula of the chemical is C₁₁H₂₀O₄. What's more, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes.

The characteristics of Decanedioic acid,1-methyl ester are as followings: (1)ACD/LogP: 2.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.06; (4)ACD/LogD (pH 7.4): 0.26; (5)ACD/BCF (pH 5.5): 13.88; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 135.68; (8)ACD/KOC (pH 7.4): 2.18; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.455; (14)Molar Refractivity: 60.98 cm³; (15)Molar Volume: 224.7 cm³; (16)Polarizability: 24.17×10^-24cm³; (17)Surface Tension: 37.4 dyne/cm; (18)Density: 1.024 g/cm³; (19)Flash Point: 119 °C; (20)Enthalpy of Vaporization: 63.65 kJ/mol; (21)Boiling Point: 336 °C at 760 mmHg; (22)Vapour Pressure: 2.17E-05 mmHg at 25°C.

Uses of Decanedioic acid,1-methyl ester: It can be used to produce 9-chlorocarbonyl-nonanoic acid methyl ester. This reaction will need reagent oxalyl chloride. The reaction time is 3 hours with heating, and the yield is about 94%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)CCCCCCCCC(=O)OCC
(2)InChI: InChI=1/C12H22O4/c1-2-16-12(15)10-8-6-4-3-5-7-9-11(13)14/h2-10H2,1H3,(H,13,14)
(3)InChIKey: DLZCDMPHHUODDO-UHFFFAOYAY

Product Name

SEBACIC ACID MONOMETHYL ESTER

Synthetic route

Decanedioic acid,1-methyl ester Specification

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