1-octadecanol
(2,6-dichloro-5-methoxyphenyl)-(2,4-dichlorophenyl)methyl octadecyl ether
1-octadecanol
Conditions | Yield |
---|---|
With trifluoroacetic acid In dichloromethane for 4h; | 100% |
Conditions | Yield |
---|---|
With hydrogen In dodecane at 200℃; under 37503.8 Torr; for 8h; Temperature; Pressure; | 99.8% |
With C30H34Cl2N2P2Ru; potassium methanolate; hydrogen In tetrahydrofuran at 100℃; under 38002.6 - 76005.1 Torr; for 15h; Glovebox; Autoclave; | 98% |
With methanol; sodium tetrahydroborate; sodium ethanolate at 40℃; Reagent/catalyst; | 72% |
Conditions | Yield |
---|---|
With sodium tetrahydroborate; N,N-dimethyl-aniline; zinc(II) chloride In tetrahydrofuran for 2h; Heating; | 99% |
With lithium aluminium tetrahydride In toluene at 90℃; | 98% |
With lithium borohydride; 9-methoxy-9-BBN In diethyl ether for 0.5h; Heating; | 97% |
2-(octadecyloxy)tetrahydro-2H-pyran
1-octadecanol
Conditions | Yield |
---|---|
poly(4-vinylpyridinium) p-toluenesulfonate In tetrahydrofuran; ethanol at 75℃; for 60h; Hydrolysis; | 99% |
With trichloroisocyanuric acid In methanol at 20℃; for 6h; | 94% |
With iodine In methanol for 0.2h; microwave irradiation; | 80% |
Conditions | Yield |
---|---|
With C24H38Cl2N3PRu; hydrogen; sodium methylate In isopropyl alcohol at 100℃; under 38002.6 Torr; for 2h; Autoclave; | 98% |
Stage #1: glycerol tristearate With diethylzinc; lithium chloride In tetrahydrofuran; hexane at 20℃; for 6h; Inert atmosphere; Stage #2: With sodium hydroxide In tetrahydrofuran; hexane; water at 20℃; for 8h; Inert atmosphere; chemoselective reaction; | 98% |
With 5 wt% Re/TiO2; hydrogen In neat (no solvent) at 230℃; under 37503.8 Torr; for 30h; Autoclave; | 82% |
1-(tert-butyldimethylsilyloxy)octadecan
1-octadecanol
Conditions | Yield |
---|---|
With sodium hydride In N,N,N,N,N,N-hexamethylphosphoric triamide at 25℃; for 10h; | 97% |
With sodium hydrogen sulfate; silica gel In dichloromethane at 20℃; for 0.5h; | 92% |
With ethane-1,2-dithiol; nickel dichloride In methanol; dichloromethane at 20℃; for 0.166667h; | 90% |
trifluoroacetate 1-octadecanol
1-octadecanol
Conditions | Yield |
---|---|
With silica gel; triethylamine In diethyl ether; Petroleum ether Substitution; Detrifluoroacetylation; | 97% |
Conditions | Yield |
---|---|
With 1,1,3,3-Tetramethyldisiloxane; copper(II) bis(trifluoromethanesulfonate) In toluene at 80℃; for 16h; sealed tube; | 96% |
With sodium aluminum tetrahydride In tetrahydrofuran; toluene at 110℃; | 94% |
With sodium tetrahydroborate; benzene-1,2-diol; trifluoroacetic acid In tetrahydrofuran at 25℃; for 4h; | 94% |
Conditions | Yield |
---|---|
With methanol; oxo[hexa(trifluoroacetato)]tetrazinc for 12h; Reflux; Inert atmosphere; | 96% |
With 18-crown-6 ether; tert-butylamine In diethyl ether firther solvent; | 78% |
Conditions | Yield |
---|---|
With water; magnesium; cadmium(II) chloride In tetrahydrofuran for 0.25h; | 95% |
With tri-n-butyl-tin hydride; silica gel In dichloromethane for 24h; Ambient temperature; | 82% |
With acetic acid; zinc und nachfolgende Verseifung des erhaltenen Octadecylacetats mittels alkoholischer Kalilauge; |
1-octadecanol
Conditions | Yield |
---|---|
With sodium hydrogen sulfate; silica gel In methanol; dichloromethane at 20℃; for 3.5h; | 94% |
With lithium chloride In methanol for 12h; Reflux; | 88% |
(1-Methyl-1-octadecyloxy-ethoxymethyl)-benzene
1-octadecanol
Conditions | Yield |
---|---|
With hydrogen; palladium on activated charcoal In ethanol under 760 Torr; Ambient temperature; | 92% |
Conditions | Yield |
---|---|
With isopropyl alcohol at 200℃; for 4h; Temperature; | 91.9% |
With cobalt at 135℃; under 147102 Torr; Hydrogenation; | |
With hydrogen In dodecane at 290℃; under 38002.6 Torr; Activation energy; Autoclave; |
Conditions | Yield |
---|---|
With hydrogen; TMSB; palladium In ethanol at 20℃; under 760 Torr; for 42h; | 91% |
With nickel Hydrogenation; | |
With diethyl ether; hydrogen; platinum | |
With nickel Hydrogenation; |
Conditions | Yield |
---|---|
With 2,2'-azobis(isobutyronitrile); triphenylstannane In toluene at 110℃; for 0.333333h; Yields of byproduct given; | A n/a B 91% |
1-octadecanol
Conditions | Yield |
---|---|
With sodium tetrahydroborate In tetrahydrofuran for 2h; Heating; | 91% |
Conditions | Yield |
---|---|
With 18-crown-6 ether; tert-butylamine In diethyl ether | A 53% B 40% C 90% |
Octadecanoic acid (1S,7R)-3,5-dioxo-4-aza-tricyclo[5.2.1.02,6]dec-8-en-4-yl ester
1-octadecanol
Conditions | Yield |
---|---|
With sodium tetrahydroborate In tetrahydrofuran; methanol for 1h; Ambient temperature; | 90% |
1-octadecanol
Conditions | Yield |
---|---|
With water; silica gel In methanol at 60℃; Inert atmosphere; | 89% |
1-(NN-diethylaminothiocarbonyloxy)octadecane
A
1-octadecanol
B
octadecane
Conditions | Yield |
---|---|
With 18-crown-6 ether; tert-butylamine In tetrahydrofuran | A 12% B 87% |
With 18-crown-6 ether; tert-butylamine In tetrahydrofuran Ambient temperature; | A 12% B 87% |
Octadecanoic acid 2,3,4,5-tetrachloro-6-octadecanoyloxy-phenyl ester
1-octadecanol
Conditions | Yield |
---|---|
With sodium tetrahydroborate In tetrahydrofuran 1) 0 deg C, 2 h, 2) rt, 2 h; | 85% |
Conditions | Yield |
---|---|
With hydrogen at 320℃; under 37503.8 Torr; Pressure; Temperature; Flow reactor; | A 83% B 13% |
Conditions | Yield |
---|---|
With indium; ammonium chloride In methanol for 35h; Reagent/catalyst; Solvent; Temperature; Reflux; | A 80% B 65% |
O-Octadecyl thiobenzoate
1-octadecanol
Conditions | Yield |
---|---|
With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride In toluene at 110℃; for 0.333333h; | 77% |
Conditions | Yield |
---|---|
With bis(cyclopentadienyl)titanium dichloride; manganese; water In tetrahydrofuran at 20℃; for 24h; Inert atmosphere; | 75% |
Conditions | Yield |
---|---|
With sodium-potassium alloy; 18-crown-6 ether; tert-butylamine further reagent; | A 24% B 74% |
Conditions | Yield |
---|---|
With hydrogen In decane at 160℃; under 30003 Torr; for 4h; Temperature; Autoclave; | A n/a B n/a C 68.39% |
With hydrogen In dodecane at 289.84℃; under 6000.6 Torr; for 4h; Autoclave; | |
With hydrogen In cyclohexane at 179.84℃; under 15001.5 Torr; for 1h; Reagent/catalyst; Pressure; Sealed tube; |
n-octadodecyl N-methanesulfonyl thioxocarbamate
A
1-octadecanol
Conditions | Yield |
---|---|
With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride In benzene for 3h; Heating; | A 67% B 23% |
1-octadecanol
3-tert-butoxycarbonyl-2-chloro-1,3,2-oxazaphospholidine
3-tert-butoxycarbonyl-2-octadecyloxy-1,3,2-oxazaphospholidine
Conditions | Yield |
---|---|
With triethylamine In dichloromethane -40 deg C to r.t., 1 h; | 100% |
1-octadecanol
2-chloro-3-methyl-1,3,2-oxazaphospholidine
3-Methyl-2-octadecyloxy-1,3,2-oxazaphosphacyclopentane
Conditions | Yield |
---|---|
With triethylamine In dichloromethane for 2h; -40 deg C to RT; | 100% |
With triethylamine In dichloromethane at -60℃; Yield given; |
Conditions | Yield |
---|---|
With sodium hydroxide; Aliquat 336 In cyclohexane Heating; | 100% |
With sodium hydroxide; Aliquat 336 In cyclohexane Heating; | 99% |
With sodium hydroxide; Aliquat 336 In cyclohexane for 4h; Heating; | 99% |
Conditions | Yield |
---|---|
With trimethylsilyl trifluoromethanesulfonate In dichloromethane at 0℃; for 0.00833333h; | 100% |
With trimethylsilyl trifluoromethanesulfonate In dichloromethane at 0℃; for 0.00833333h; | 100% |
With silica gel-supported phosphotungstic acid In chloroform at 20℃; for 0.0333333h; | 98% |
1-octadecanol
[4-(7-Diethylamino-2-oxo-2H-chromen-3-yl)-phenyl]-oxo-acetonitrile
Conditions | Yield |
---|---|
With dmap In acetonitrile for 1.5h; Heating; | 100% |
1,4-benzenedicarboxylic acid dimethyl ester
1-octadecanol
1-methyl-4-octadecyl terephthalate
Conditions | Yield |
---|---|
Stage #1: 1,4-benzenedicarboxylic acid dimethyl ester; 1-octadecanol In xylene for 0.5h; Heating; Stage #2: With TiO(acac)2 In xylene for 15h; Heating; | 100% |
Conditions | Yield |
---|---|
Stage #1: 1-octadecanol; Methyl cinnamate In xylene for 0.5h; Heating; Stage #2: With TiO(acac)2 In xylene for 14h; Heating; | 100% |
1-octadecanol
methyl 3-(4-hydroxy-3,5-di-tert-butyl)phenylpropanoate
Octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate
Conditions | Yield |
---|---|
Stage #1: 1-octadecanol; methyl 3-(4-hydroxy-3,5-di-tert-butyl)phenylpropanoate In xylene for 0.5h; Heating; Stage #2: With TiO(acac)2 In xylene for 11h; Heating; | 100% |
With sodium montmorillonite In methanol at 110 - 120℃; under 15001.5 - 22502.3 Torr; for 7h; Reagent/catalyst; Inert atmosphere; | 99.1% |
Stage #1: methyl 3-(4-hydroxy-3,5-di-tert-butyl)phenylpropanoate With tetramethoxytitanium; tetrabutoxytitanium In ethylene glycol; toluene for 1.33333h; Inert atmosphere; Cooling with ice; Stage #2: 1-octadecanol With zirconium (IV) butoxide at 80℃; for 3h; Reagent/catalyst; Temperature; Inert atmosphere; Cooling with ice; | 99.6% |
Conditions | Yield |
---|---|
Stage #1: 1-octadecanol; methyl salicylate In xylene for 0.5h; Heating; Stage #2: With TiO(acac)2 In xylene for 10h; Heating; | 100% |
Conditions | Yield |
---|---|
toluene-4-sulfonic acid In toluene for 5h; Heating / reflux; | 100% |
Conditions | Yield |
---|---|
With hydrogenchloride; N-n-octylalkylpyridinium chlorides; mixture of at 150℃; for 8h; Product distribution / selectivity; | 99.8% |
With Amberlite IRA 93 (PCl5 form) In benzene for 5h; Heating; | 96% |
With hydrogenchloride; trimethyloctadecylammonium chloride for 10h; Irradiation; | 77% |
Conditions | Yield |
---|---|
With C12F18O13Zn4 for 38h; Reflux; Inert atmosphere; | 99% |
With iodine for 2h; Reflux; chemoselective reaction; | 98% |
With aluminum oxide at 25 - 30℃; for 1h; | 96% |
With copper(II) nitrate for 30h; Heating; | 85% |
With cerium(IV) trifluoromethanesulfonate at 20℃; for 1h; Acetylation; | 75% |
1-octadecanol
2,4,4,6-Tetrabromo-2,5-cyclohexadien-1-one
1-Bromooctadecane
Conditions | Yield |
---|---|
With triphenylphosphine In dichloromethane for 4h; Ambient temperature; | 99% |
Conditions | Yield |
---|---|
With sulfonic acid-functionalized periodic mesoporous organosilicas with ethyl bridging group at 60℃; for 24h; | 99% |
With copper(II) nitrate for 3.5h; Heating; | 90% |
With cerium(IV) trifluoromethanesulfonate at 20℃; for 2h; Acetylation; | 90% |
With sulfonic acid immobilized on a periodic mesoporous organosilica with an imidazolium framework In neat (no solvent) at 60℃; for 19h; Green chemistry; | 90% |
Conditions | Yield |
---|---|
With copper(II) nitrate for 4h; Heating; | 99% |
With cerium(IV) trifluoromethanesulfonate at 20℃; for 0.166667h; Formylation; | 65% |
Conditions | Yield |
---|---|
Stage #1: thiophene-2-carboxylic acid methyl ester; 1-octadecanol In xylene for 0.5h; Heating; Stage #2: With TiO(acac)2 In xylene for 13h; Heating; | 99% |
With iron(III)-acetylacetonate; sodium carbonate In n-heptane at 105℃; for 5h; Inert atmosphere; | 96% |
1-octadecanol
4-nitrobenzoic acid methyl ester
octadecyl 4-nitro-benzoate
Conditions | Yield |
---|---|
Stage #1: 1-octadecanol; 4-nitrobenzoic acid methyl ester In xylene for 0.5h; Heating; Stage #2: With TiO(acac)2 In xylene for 4.5h; Heating; | 99% |
1-octadecanol
4-methoxycarbonylphenyl bromide
4-Brombenzoesaeure-n-octadecylester
Conditions | Yield |
---|---|
Stage #1: 1-octadecanol; 4-methoxycarbonylphenyl bromide In xylene for 0.5h; Heating; Stage #2: With TiO(acac)2 In xylene for 5h; Heating; | 99% |
Conditions | Yield |
---|---|
at 115℃; for 3h; | 99% |
Stage #1: cycl-isopropylidene malonate; 1-octadecanol In toluene for 4h; Reflux; Stage #2: With sodium hydrogencarbonate In water; toluene at 20℃; Stage #3: With hydrogenchloride In water | 96% |
at 110 - 120℃; for 1h; | 93% |
Conditions | Yield |
---|---|
With pyridine In tetrachloromethane at -15 - 40℃; Product distribution / selectivity; | 99% |
With pyridine In dichloromethane at 10 - 15℃; for 2h; Cooling with ice; | 83% |
Stage #1: bis(trichloromethyl) carbonate With potassium carbonate; N,N-dimethyl-formamide In toluene at 0℃; for 0.5h; Inert atmosphere; Stage #2: 1-octadecanol In toluene at 0 - 20℃; for 12h; Inert atmosphere; | 75% |
With pyridine In tetrachloromethane at -20 - 20℃; |
1-octadecanol
3-phenylpropanoic acid methyl ester
octadecyl 3-phenylpropionate
Conditions | Yield |
---|---|
With Zn4(OCOCF3)6O In di-isopropyl ether for 18h; Heating; | 99% |
With potassium phosphate; N-benzyl-N,N,N-triethylammonium chloride In toluene for 48h; Reflux; | 69% |
1-octadecanol
(E)-3-phenylacrylic acid
octadecyl (2E)-3-phenylprop-2-enoate
Conditions | Yield |
---|---|
With triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran at 20℃; Mitsunobu reaction; | 99% |
Conditions | Yield |
---|---|
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 0 - 20℃; Steglich Esterification; | 99% |
Conditions | Yield |
---|---|
With sodium bromate; sulfuric acid; sodium bromide In water at 20℃; for 24h; | 99% |
With (bis[(2-diisopropylphosphino)ethyl]amine)Mn(CO)2 at 150℃; for 24h; Catalytic behavior; Inert atmosphere; | 80 %Spectr. |
Conditions | Yield |
---|---|
With 1-hexadecyl-3-sulfo-1H-imidazol-3-ium chloride In neat (no solvent) at 110℃; for 16h; Green chemistry; | 99% |
The IUPAC name of 1-Octadecanol is octadecan-1-ol. With the CAS registry number 112-92-5 and EINECS 204-017-6, it is also named as Stearyl alcohol. The product's categories are Industrial / Fine Chemicals; 1-Alkanols; Biochemistry; Higher Fatty Acids & Higher Alcohols; Monofunctional & alpha,omega-Bifunctional Alkanes; Monofunctional Alkanes; Saturated Higher Alcohols. It is white flakes which is soluble in alcohol, benzene, chloroform, insoluble in water. When heated to decomposition it emits acrid smoke and irritating fumes. Additionally, this chemical should be sealed in the container, avoided direct sunshine and stored in the cool and well-ventilated place.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 8.31; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.31; (4)ACD/LogD (pH 7.4): 8.31; (5)#H bond acceptors: 1; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 17; (8)Polar Surface Area: 9.23 Å2; (9)Index of Refraction: 1.45; (10)Molar Refractivity: 86.97 cm3; (11)Molar Volume: 323.1 cm3; (12)Polarizability: 34.47×10-24 cm3; (13)Surface Tension: 31.4 dyne/cm; (14)Enthalpy of Vaporization: 66.88 kJ/mol; (15)Vapour Pressure: 9.11E-06 mmHg at 25°C; (16)Rotatable Bond Count: 16; (17)Exact Mass: 270.292266; (18)MonoIsotopic Mass: 270.292266; (19)Topological Polar Surface Area: 20.2; (20)Heavy Atom Count: 19; (21)Complexity: 145.
Preparation of 1-Octadecanol: It can be obtained from stearic acid by the process of catalytic hydrogenation.
Uses of 1-Octadecanol: It is used as an emollient, emulsifier, and thickener in ointments of various sorts, and is widely used as a hair coating in shampoos and hair conditioners. It is also used as an ingredient in lubricants, resins, perfumes and cosmetics. What's more, this chemical is used as a liquid solar blanket in swimming pools by forming a molecule thick layer on the surface of the water and slowing the evaporation rate of the pool water. In addition, it is used to produce 1-chloro-octadecane. This reaction needs reagent HCl at temperature of 140-150 °C.
People can use the following data to convert to the molecule structure.
1. SMILES:OCCCCCCCCCCCCCCCCCC
2. InChI:InChI=1/C18H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h19H,2-18H2,1H3
3. InChIKey:GLDOVTGHNKAZLK-UHFFFAOYAZ
The following are the toxicity data which has been tested.
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rat | LD50 | oral | 20gm/kg (20000mg/kg) | "Kirk-Othmer Encyclopedia of Chemical Technology," 3rd ed., Grayson, M., and D. Eckroth, eds. New York, John Wiley & Sons, Inc., 1978Vol. 1, Pg. 722, 1978. |
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