CAS No.544-62-7,Batyl alcohol Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	544-62-7
Name:	Batyl alcohol
Article Data:	40

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

Synthetic route

: 16725-43-2
4-(n-octadecyloxymethyl)-2,2-dimethyl-1,3-dioxolane

: 544-62-7
batyl alcohol

Conditions

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;

: 112-61-8
Methyl stearate

: 56-81-5
glycerol

A: 544-62-7
batyl alcohol

B: 927-18-4
2-octadecyloxy-propane-1,3-diol

Conditions

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

...Expand

: 25580-78-3
1-[(prop-2'-en-1'-yl)oxy]octadecane

: 544-62-7
batyl alcohol

Conditions

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;

: 111-03-5, 2716-53-2, 30836-40-9, 34487-30-4, 69483-90-5, 99297-71-9, 129784-87-8
1-monooleoyl glycerol

: 56-81-5
glycerol

A: 544-62-7
batyl alcohol

B: 927-18-4
2-octadecyloxy-propane-1,3-diol

Conditions

Conditions	Yield
With 5%-palladium/activated carbon; hydrogen at 120℃; under 37503.8 Torr; for 16h; Autoclave; regioselective reaction;	A 35% B n/a

...Expand

: 22610-63-5
octadecanoic acid 2,3-dihydroxypropyl ester

: 56-81-5
glycerol

A: 544-62-7
batyl alcohol

B: 927-18-4
2-octadecyloxy-propane-1,3-diol

Conditions

Conditions	Yield
With 5%-palladium/activated carbon; hydrogen at 120℃; under 37503.8 Torr; for 16h; Autoclave; regioselective reaction;	A 34% B n/a

...Expand

: 57-11-4
stearic acid

: 56-81-5
glycerol

: 544-62-7
batyl alcohol

Conditions

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%

: 31081-59-1
1-octadecyl methanesulfonate

: 100-79-8
(R,S)-2,2-dimethyl-1,3-dioxolane-4-methanol

: 544-62-7
batyl alcohol

Conditions

Conditions	Yield
(i) K, benzene, (ii) /BRN= 1913366/, (iii) aq. HCl, MeOH; Multistep reaction;

: 3386-32-1
n-octadecyl p-toluenesulfonate

: 100-79-8
(R,S)-2,2-dimethyl-1,3-dioxolane-4-methanol

: 544-62-7
batyl alcohol

Conditions

Conditions	Yield
(i) NaNH2, toluene, (ii) /BRN= 2011780/, (iii) aq. AcOH; Multistep reaction;

: 923-62-6
1,2-bis-octadecanoyloxy-3-octadecyloxy-propane

: 544-62-7
batyl alcohol

Conditions

Conditions	Yield
With sodium hydroxide In methanol; chloroform

: 3386-32-1
n-octadecyl p-toluenesulfonate

: 33145-48-1
(2,2-dimethyl-[1,3]dioxolan-4-yl)-methanol; sodium salt

: 544-62-7
batyl alcohol

Conditions

Conditions	Yield
(i) NaNH2, toluene, (ii) /BRN= 2011780/, toluene, (iii) aq. HCl, EtOH; Multistep reaction;

Raw Materials

629-93-6

100-79-8

112-92-5

Downstream Products

76-84-6

Total:83 Page 1 of 3 1 2 3 Next>>

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Chemistry

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

Toxicity Data With Reference

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.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Moderately toxic by intraperitoneal route. When heated to decomposition it emits acrid smoke and irritating vapors.

Specification

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.