9,10-Dihydroxystearic acid supplier

Name
9,10-DIHYDROXYSTEARIC ACID
EINECS 204-432-2
CAS No. 120-87-6
Article Data99
CAS DataBase
Density 1.001 g/cm³
Solubility
Melting Point 90°C
Formula C₁₈H₃₆O₄
Boiling Point 481.618 °C at 760 mmHg
Molecular Weight 316.481
Flash Point 259.18 °C
Transport Information
Appearance Waxy, off-white solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 9,10-Dihydroxyoctadecanoicacid;NSC 60305;
PSA 77.76000
LogP 4.27410

Synthetic route

: 112-80-1
cis-Octadecenoic acid

: 120-87-6
Dihydroxystearic Acid

Conditions

Conditions	Yield
With dihydrogen peroxide; ortho-tungstic acid; acetic acid at 70 - 80℃; for 5h; Temperature;	98%
With hydrogenchloride; dihydrogen peroxide; acetic acid at 20 - 55℃; for 6h;	97%
With formic acid; sulfuric acid; dihydrogen peroxide In water at 25 - 90℃; for 5h; Product distribution / selectivity;	74%

: 1115-01-1
methyl 9,10-dihydroxy stearate

: 120-87-6
Dihydroxystearic Acid

Conditions

Conditions	Yield
With lithium hydroxide In tetrahydrofuran at 0 - 20℃;	86%

: 112-79-8
Elaidic acid

: 120-87-6
Dihydroxystearic Acid

Conditions

Conditions	Yield
With dihydrogen peroxide; Nafion-SAC13 In water at 90℃; for 20h; Conversion of starting material;	80.3%
With dihydrogen peroxide In formic acid
Multi-step reaction with 2 steps 1: [((S,S)-N,N′-bis(2-pyridylmethyl)-(S,S)-2,2′-bipyrrolidine)FeII(OTf)2]; dihydrogen peroxide / acetic acid; acetonitrile / 24 h / 0 °C 2: sulfuric acid / acetonitrile; water / 16 h / 20 °C View Scheme

: 112-80-1
cis-Octadecenoic acid

A: 120-87-6
Dihydroxystearic Acid

B: 2632-61-3
9-Chlor-10-hydroxy-octadecansaeure

: 24560-98-3
cis-9,10-epoxystearic acid

Conditions

Conditions	Yield
With hydrogenchloride; hypochloric acid Mechanism; fatty acids and lipids;

...Expand

: 5829-48-1
9,10-dichlorooctadecanoic acid

KOH: KOH

: 120-87-6
Dihydroxystearic Acid

Conditions

Conditions	Yield
oleodichlorostearic acid;

: 6085-36-5, 55726-25-5, 24909-72-6
oleic anhydride

A: 112-80-1
cis-Octadecenoic acid

B: 120-87-6
Dihydroxystearic Acid

Conditions

Conditions	Yield
With osmium(VIII) oxide; potassium hexacyanoferrate(III) In water Title compound not separated from byproducts;

aqueous sulfurous acid: aqueous sulfurous acid

: 7285-11-2
chloroform methanol

: 112-80-1
cis-Octadecenoic acid

: 120-87-6
Dihydroxystearic Acid

Conditions

Conditions	Yield
With sodium hydroxide; potassium permanganate In water

...Expand

: 24560-98-3
cis-9,10-epoxystearic acid

: 120-87-6
Dihydroxystearic Acid

Conditions

Conditions	Yield
With recombinant Nicotiana benthamiana epoxide hydrolase 2.1 In aq. phosphate buffer at 40℃; pH=8; Kinetics; Catalytic behavior; pH-value; Reagent/catalyst; Temperature; Solvent; Enzymatic reaction;

: 2443-39-2, 13980-07-9, 16833-55-9, 17682-84-7, 17682-85-8, 24560-98-3, 38003-74-6, 38003-76-8
9,10-epoxystearic acid

: 120-87-6
Dihydroxystearic Acid

Conditions

Conditions	Yield
With sulfuric acid In water; acetonitrile at 20℃; for 16h;
With dihydrogen peroxide In tetrahydrofuran; water at 80℃; for 24h;

: C55H104O6

: 120-87-6
Dihydroxystearic Acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: sodium hydroxide / 0.5 h / 60 °C 1.2: 0.5 h / pH 2 2.1: dihydrogen peroxide; formic acid / 18 h / 60 °C 2.2: 3 h / 100 °C View Scheme

: 2443-39-2, 13980-07-9, 16833-55-9, 17682-84-7, 17682-85-8, 24560-98-3, 38003-74-6, 38003-76-8
9,10-epoxystearic acid

A: 123-99-9
azelaic acid

B: 120-87-6
Dihydroxystearic Acid

Conditions

Conditions	Yield
With dodecyltrimethylammonium phosphotungstate; dihydrogen peroxide In tetrahydrofuran; water at 80℃; for 24h; Reagent/catalyst;

: 112-62-9
Methyl oleate

: 120-87-6
Dihydroxystearic Acid

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 0 °C 2: perchloric acid / tetrahydrofuran; water / 0 - 20 °C 3: lithium hydroxide / tetrahydrofuran / 0 - 20 °C View Scheme

: 120-87-6
Dihydroxystearic Acid

A: 123-99-9
azelaic acid

B: 112-05-0
nonanoic acid

Conditions

Conditions	Yield
With 1 wt% Au/Al2O3; oxygen; sodium hydroxide In water at 80℃; under 3750.38 Torr; for 4.33333h; Autoclave; Inert atmosphere;	A 86% B 99%
With copper(II) ferrite; oxygen In neat (no solvent) at 80℃; under 18751.9 Torr; for 5h; Reagent/catalyst; Temperature; Pressure; Autoclave;	A 57.24% B 46.65%
With sodium stannate; dihydrogen peroxide; tungsten(VI) oxide In water; tert-butyl alcohol at 130℃; for 4h; Sealed tube;

: 67-56-1
methanol

: 120-87-6
Dihydroxystearic Acid

: 1115-01-1
methyl 9,10-dihydroxy stearate

Conditions

Conditions	Yield
With Amberlyst-15 at 65℃; for 12h;	99%
With sulfuric acid for 14h; Reflux;	97%

: 120-87-6
Dihydroxystearic Acid

: 1193-02-8
4-aminotiophenol

: 1313211-33-4
C24H41NO3S

Conditions

Conditions	Yield
With triethylamine; dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 12h;	97%

: 64-17-5
ethanol

: 120-87-6
Dihydroxystearic Acid

: 4277-20-7
9,10-dihydroxystearic acid ethyl ester

Conditions

Conditions	Yield
With toluene-4-sulfonic acid at 100℃; for 20h;	93%

: 120-87-6
Dihydroxystearic Acid

A: 1732-10-1
Dimethyl azelate

B: 1731-84-6
nonanoic acid methyl ester

Conditions

Conditions	Yield
With sodium hypochlorite at 20℃; for 5h;	A 40% B 89%

: 120-87-6
Dihydroxystearic Acid

: 656-73-5
9,10-diketostearic acid

Conditions

Conditions	Yield
With urea hydrogen peroxide adduct; lanthanum(lll) triflate at 70℃; for 2.5h; Ionic liquid; Green chemistry;	78%
With 1-butyl-3-methylimidazolium hydrogen sulfate; sodium bromate In water at 60℃; for 0.666667h; Green chemistry;	78%
With pyridine; N-Bromosuccinimide In tetrachloromethane for 2h; Heating;	50%
With N-Bromosuccinimide In water; ethyl acetate at 80℃; for 0.25h; Reflux; Inert atmosphere;

: 120-87-6
Dihydroxystearic Acid

A: 124-19-6
nonan-1-al

B: 2553-17-5
azelaic acid semialdehyde

Conditions

Conditions	Yield
With sodium periodate; tetra(n-butyl)ammonium hydrogen sulfate In dichloromethane; water at 20℃;	A 64 %Chromat. B 74%
With ethanol; sulfuric acid; periodic acid
With sodium periodate; sodium hydrogencarbonate In water; acetonitrile at 20℃; for 1.5h;

: 120-87-6
Dihydroxystearic Acid

: 2043-55-2
3,3,4,4,5,5,6,6,6-nonafluorohexyliodide

: C24H39F9O4

Conditions

Conditions	Yield
With sodium carbonate In N,N-dimethyl-formamide at 80℃; for 24h; Inert atmosphere;	40.5%

: 120-87-6
Dihydroxystearic Acid

: 647-42-7
1H,1H,2H,2H-tridecafluoro-n-octanol

: C26H39F13O4

Conditions

Conditions	Yield
With dmap; diisopropyl-carbodiimide In tetrahydrofuran at 20℃; for 24h; Inert atmosphere;	26.7%

: 120-87-6
Dihydroxystearic Acid

: 678-39-7
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-decanol

: C28H39F17O4

Conditions

Conditions	Yield
With dmap; diisopropyl-carbodiimide at 20℃; for 24h; Inert atmosphere;	17.2%

: 120-87-6
Dihydroxystearic Acid

: 123-99-9
azelaic acid

Conditions

Conditions	Yield
With chromium(III) oxide; sulfuric acid
With potassium permanganate; acetone
With sodium hypochlorite In water at 20℃; for 2h;

: 120-87-6
Dihydroxystearic Acid

: 505-48-6
octane-1,8-dioic acid

Conditions

Conditions	Yield
With potassium hydroxide; potassium permanganate at 0℃; dann bei Raumtemperatur;

: 120-87-6
Dihydroxystearic Acid

: 2553-17-5
azelaic acid semialdehyde

Conditions

Conditions	Yield
With lead(IV) acetate; acetic acid
With lead(II,IV) oxide; acetic acid
With lead(IV) acetate; acetic acid
With lead(II,IV) oxide; acetic acid

: 120-87-6
Dihydroxystearic Acid

: 10416-59-8, 132255-83-5
(Z)-trimethylsilyl N-trimethylsilylacetimidate

: Trimethylsilyl-9,10-dihydroxy-octadecansaeure

: 120-87-6
Dihydroxystearic Acid

A: 124-19-6
nonan-1-al

B azelaaldehydic acid: azelaaldehydic acid

Conditions

Conditions	Yield
With potassium metaperiodate; ethanol; sulfuric acid at 40℃;
With lead(II,IV) oxide; acetic acid at 55 - 65℃;
With lead(II,IV) oxide; acetic acid at 55 - 65℃;

: 120-87-6
Dihydroxystearic Acid

A: 124-07-2
Octanoic acid

B oxalic acid ,suberic acid: oxalic acid ,suberic acid

Conditions

Conditions	Yield
With alkaline KMNO4 at 0℃;

: 111-87-5
octanol

: 120-87-6
Dihydroxystearic Acid

: 9,10-dihydroxyoctadecanoic acid octyl ester

Conditions

Conditions	Yield
With lipozyme IM (lipase from Rhizomucor miehei) In hexane at 30℃; for 5h; Product distribution; Further Variations:; Solvents; Reagents; Reaction partners; Esterification;
Lipozyme IM In hexane at 50℃; for 1 - 3h; Product distribution / selectivity; Enzymatic reaction;	63.3 - 92.3 %Chromat.
Lipozyme IM at 70℃; for 1h; Product distribution / selectivity; Enzymatic reaction;	84.1 %Chromat.

: 120-87-6
Dihydroxystearic Acid

: 112-05-0
nonanoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: Pb3O4; glacial acetic acid / 55 - 65 °C 2: air / 25 °C View Scheme

: 120-87-6
Dihydroxystearic Acid

: 2348-19-8, 74335-75-4, 74335-76-5
nonanal (2,4-dinitrophenyl)hydrazone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: ethanol; periodic acid; H2SO4 View Scheme

: 120-87-6
Dihydroxystearic Acid

: 2027-46-5, 16343-85-4, 16343-86-5, 29242-09-9, 93635-23-5
threo-9.10-dihydroxy-palmitic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: KMnO4; diluted KOH / 0 °C / dann bei Raumtemperatur 2: KMnO4; alkali View Scheme

: 120-87-6
Dihydroxystearic Acid

: 2027-46-5, 16343-85-4, 16343-86-5, 29242-09-9, 93635-23-5
erythro-9.10-dihydroxy-palmitic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: KMnO4; diluted KOH / 0 °C / dann bei Raumtemperatur 2: KMnO4; alkali View Scheme

: 120-87-6
Dihydroxystearic Acid

: 120-87-6, 2391-05-1, 3639-32-5, 10067-09-1, 20831-62-3, 20831-68-9, 38003-70-2
threo-9,10-dihydroxyoctadecanoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: KMnO4; diluted KOH / 0 °C / dann bei Raumtemperatur 2: KMnO4; alkali View Scheme

9,10-Dihydroxystearic acid Specification

The Octadecanoic acid,9,10-dihydroxy-, with the CAS registry number 120-87-6 and EINECS registry number 204-432-2, has the systematic name and IUPAC name of 9,10-dihydroxyoctadecanoic acid. And the molecular formula of the chemical is C₁₈H₃₆O₄.

The characteristics of Octadecanoic acid,9,10-dihydroxy- are as followings: (1)ACD/LogP: 4.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.54; (4)ACD/LogD (pH 7.4): 1.75; (5)ACD/BCF (pH 5.5): 186.79; (6)ACD/BCF (pH 7.4): 2.99; (7)ACD/KOC (pH 5.5): 872.01; (8)ACD/KOC (pH 7.4): 13.98; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 18; (12)Polar Surface Area: 44.76 Å²; (13)Index of Refraction: 1.481; (14)Molar Refractivity: 89.99 cm³; (15)Molar Volume: 316 cm³; (16)Polarizability: 35.67×10^-24cm³; (17)Surface Tension: 40.7 dyne/cm; (18)Density: 1.001 g/cm³; (19)Flash Point: 259.2 °C; (20)Enthalpy of Vaporization: 86.01 kJ/mol; (21)Boiling Point: 481.6 °C at 760 mmHg; (22)Vapour Pressure: 2.68E-11 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)CCCCCCCC(O)C(O)CCCCCCCC
(2)InChI: InChI=1/C18H36O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22)
(3)InChIKey: VACHUYIREGFMSP-UHFFFAOYAQ

Product Name

9,10-DIHYDROXYSTEARIC ACID

Synthetic route

9,10-Dihydroxystearic acid Specification

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