Products Categories
CAS No.: | 544-62-7 |
---|---|
Name: | Batyl alcohol |
Article Data: | 40 |
Molecular Structure: | |
Formula: | C21H44O3 |
Molecular Weight: | 344.579 |
Synonyms: | (RS)-Batylalcohol;1-O-Octadecylglycerol;1-Octadecyloxy-2,3-dihydroxypropane;Batilalcohol;Glycerol 1-octadecyl ether;NikkolBatyl Alcohol 100;Nikkol Batyl Alcohol EX;Stearylmonoglyceride;a-Monostearyl glyceryl ether; |
EINECS: | 208-874-7 |
Density: | 0.914 g/cm3 |
Melting Point: | 71-73 °C(lit.) |
Boiling Point: | 471.1 °C at 760 mmHg |
Flash Point: | 238.7 °C |
Safety: | 22-24/25 |
PSA: | 49.69000 |
LogP: | 5.61770 |
4-(n-octadecyloxymethyl)-2,2-dimethyl-1,3-dioxolane
batyl alcohol
Conditions | Yield |
---|---|
With hydrogenchloride In water for 4h; Reflux; | 96% |
With hydrogenchloride; methanol for 1h; Heating; Yield given; | |
With sulfuric acid In tetrahydrofuran at 100℃; for 2h; |
Methyl stearate
glycerol
A
batyl alcohol
B
2-octadecyloxy-propane-1,3-diol
Conditions | Yield |
---|---|
With 5%-palladium/activated carbon; camphor-10-sulfonic acid; hydrogen at 120℃; under 37503.8 Torr; for 16h; Autoclave; regioselective reaction; | A 73% B n/a |
1-[(prop-2'-en-1'-yl)oxy]octadecane
batyl alcohol
Conditions | Yield |
---|---|
With cethyltrimethylammonium permanganate In dichloromethane at 20℃; for 5h; Addition; | 65% |
With Perbenzoic acid; chloroform at 70 - 80℃; beim folgenden Hydrolyse mit wss.-alkoh.H2SO4 oder KOH; | |
With formic acid; sulfuric acid; dihydrogen peroxide Erwaermen des Reaktionsprodukts mit wss.-aethanol.Kalilauge; | |
With dihydrogen peroxide; acetic acid at 70 - 80℃; beim folgenden Hydrolyse mit wss.-alkoh.H2SO4 oder KOH; |
1-monooleoyl glycerol
glycerol
A
batyl alcohol
B
2-octadecyloxy-propane-1,3-diol
Conditions | Yield |
---|---|
With 5%-palladium/activated carbon; hydrogen at 120℃; under 37503.8 Torr; for 16h; Autoclave; regioselective reaction; | A 35% B n/a |
octadecanoic acid 2,3-dihydroxypropyl ester
glycerol
A
batyl alcohol
B
2-octadecyloxy-propane-1,3-diol
Conditions | Yield |
---|---|
With 5%-palladium/activated carbon; hydrogen at 120℃; under 37503.8 Torr; for 16h; Autoclave; regioselective reaction; | A 34% B n/a |
Conditions | Yield |
---|---|
With 5%-palladium/activated carbon; camphor-10-sulfonic acid; hydrogen at 20 - 140℃; under 37503.8 Torr; for 24h; Autoclave; | 30% |
With palladium on activated charcoal; hydrogen at 120℃; under 37503.8 Torr; for 16h; Autoclave; Inert atmosphere; | 29% |
1-octadecyl methanesulfonate
(R,S)-2,2-dimethyl-1,3-dioxolane-4-methanol
batyl alcohol
Conditions | Yield |
---|---|
(i) K, benzene, (ii) /BRN= 1913366/, (iii) aq. HCl, MeOH; Multistep reaction; |
n-octadecyl p-toluenesulfonate
(R,S)-2,2-dimethyl-1,3-dioxolane-4-methanol
batyl alcohol
Conditions | Yield |
---|---|
(i) NaNH2, toluene, (ii) /BRN= 2011780/, (iii) aq. AcOH; Multistep reaction; |
Conditions | Yield |
---|---|
With sodium hydroxide In methanol; chloroform |
n-octadecyl p-toluenesulfonate
(2,2-dimethyl-[1,3]dioxolan-4-yl)-methanol; sodium salt
batyl alcohol
Conditions | Yield |
---|---|
(i) NaNH2, toluene, (ii) /BRN= 2011780/, toluene, (iii) aq. HCl, EtOH; Multistep reaction; |
Molecular Structure of 3-Octadecoxypropane-1,2-diol (CAS NO.51-74-1):
IUPAC Name: 3-Octadecoxypropane-1,2-diol
Empirical Formula: C21H44O3
Molecular Weight: 344.5723
H bond acceptors: 3
H bond donors: 2
Freely Rotating Bonds: 22
Polar Surface Area: 27.69Å2
Index of Refraction: 1.464
Molar Refractivity: 104.11 cm3
Molar Volume: 376.9 cm3
Surface Tension: 35.2 dyne/cm
Density: 0.914 g/cm3
Flash Point: 238.7 °C
Enthalpy of Vaporization: 84.6 kJ/mol
Boiling Point: 471.1 °C at 760 mmHg
Vapour Pressure: 7.44E-11 mmHg at 25°C
Classification Code: Drug / Therapeutic Agent
Apperance: white crystalline powder
InChI
InChI=1/C21H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20-21(23)19-22/h21-23H,2-20H2,1H3
Smiles
C(CCCCCCCCCCCCCCC)CCOC[C@@H](CO)O
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 750mg/kg (750mg/kg) | National Technical Information Service. Vol. AD691-490, | |
mouse | LD50 | subcutaneous | > 3032mg/kg (3032mg/kg) | PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE) BEHAVIORAL: MUSCLE WEAKNESS | Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 470, 1948. |
Reported in EPA TSCA Inventory.
Moderately toxic by intraperitoneal route. When heated to decomposition it emits acrid smoke and irritating vapors.
3-Octadecoxypropane-1,2-diol , with CAS number of 51-74-1, can be called 1,2-Propanediol, 3- (octadecyloxy)- ; 3-(Octadecyloxy)-1,2-propandiol ; 3-(Octadecyloxy)propane-1,2-diol ; Batylol ; (+)-Batylalcohol ; .alpha.-Octadecylether of glycerol . 3-Octadecoxypropane-1,2-diol (CAS NO.544-62-7) is one of the commonly used drugs promoted the proliferation of white blood cell proliferation.