CAS No.555-44-2,TRIPALMITIN Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	555-44-2
Name:	TRIPALMITIN
Article Data:	36

Formula:	C₅₁H₉₈O₆
Molecular Weight:	807.336
Synonyms:	Palmitin, tri- (8CI);Barolub LCD;Hexadecanoicacid, 1,2,3-propanetriyl ester (9CI);Dynasan 116;Dynosan 114;Glycerin tripalmitate;Glycerol tripalmitate;Glyceryl trihexadecanoate;Glyceryl tripalmitate;Palmitic acid triglyceride;Palmitic triglyceride;Spezialfett 116;Triglyceride PPP;Triglycerylpalmitate;Tripalmitate;Tripalmitin;Tripalmitoylglycerol;
EINECS:	209-098-1
Density:	0.916 g/cm³
Melting Point:	66-68 °C
Boiling Point:	759.8 °C at 760 mmHg
Flash Point:	286.1 °C
Appearance:	white powder
Hazard Symbols:	Xn
Risk Codes:	20/22
Safety:	22-24/25
PSA:	78.90000
LogP:	16.42850

Synthetic route

: 57-10-3
1-hexadecylcarboxylic acid

: 56-81-5
glycerol

: 555-44-2
glyceroltripalmitate

Conditions

Conditions	Yield
With toluene-4-sulfonic acid at 115℃; for 5h;	85%
With toluene-4-sulfonic acid at 115℃;	61%
Stage #1: 1-hexadecylcarboxylic acid; glycerol With sulfuric acid at 119.84℃; for 3h; Stage #2: In chloroform at 69.84℃; for 0.5h;	53%

: 57-10-3
1-hexadecylcarboxylic acid

: 56-81-5
glycerol

A: 34607-52-8
1,2-dipalmitoylglycerol bromohydrid

B: 555-44-2
glyceroltripalmitate

Conditions

Conditions	Yield
With bromine; sodium hydrogencarbonate; triphenylphosphine In dichloromethane for 0.5h;	A n/a B 65.2%

...Expand

: 96-11-7
1,2,3-tribromopropane

: 408-35-5
sodium palmitate

: 555-44-2
glyceroltripalmitate

: 96-11-7
1,2,3-tribromopropane

: 3508-01-8
silver palmitate

: 555-44-2
glyceroltripalmitate

Conditions

Conditions	Yield
With xylene

: 56-81-5
glycerol

: 112-67-4
n-hexadecanoyl chloride

: 555-44-2
glyceroltripalmitate

Conditions

Conditions	Yield
With pyridine; chloroform
With quinoline; chloroform

: 2190-25-2
2-Oleodipalmitin

: 555-44-2
glyceroltripalmitate

Conditions

Conditions	Yield
With water In hexane at 30℃; for 48h; Mechanism; Candida rugosa lipase; other lipases; var. time;

: 57-10-3
1-hexadecylcarboxylic acid

α.α'-dipalmityne: α.α'-dipalmityne

: 555-44-2
glyceroltripalmitate

Conditions

Conditions	Yield
at 200 - 220℃; unter stark vermindertem Druck im trocknen Luftstrom;

: 57-10-3
1-hexadecylcarboxylic acid

monopalmityne: monopalmityne

: 555-44-2
glyceroltripalmitate

Conditions

Conditions	Yield
at 250℃;

: 628-97-7
hexadecanoic acid ethyl ester

: 56-81-5
glycerol

: 555-44-2
glyceroltripalmitate

Conditions

Conditions	Yield
With Novozym 435 at 60℃; under 40 Torr; for 36h;

: 57-10-3
1-hexadecylcarboxylic acid

: 56-81-5
glycerol

A: 305847-08-9
rac-1-monopalmitoylglycerol

B: 1042289-75-7
rac-1,2-dipalmitoylglycerol

C: 502-52-3
hexadecanoic acid, 2-hydroxy-1,3-propanediyl ester

D: 555-44-2
glyceroltripalmitate

Conditions

Conditions	Yield
With lipozyme RM IM at 60℃; Enzymatic reaction; neat (no solvent); regioselective reaction;

...Expand

Raw Materials

2190-25-2

56-81-5

57-10-3

96-11-7

628-97-7

3508-01-8

408-35-5

112-67-4

Downstream Products

112-39-0

601-34-3

57-10-3

544-31-0

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Specification

The Hexadecanoic acid,1,1',1''-(1,2,3-propanetriyl) ester, with the CAS registry number 555-44-2, is also known as Tripalmitin. Its EINECS number is 209-098-1. It belongs to the product categories of Fatty Acid Derivatives & Lipids; Glycerols. This chemical's molecular formula is C₅₁H₉₈O₆ and molecular weight is 807.32. What's more, its systematic name is Propane-1,2,3-triyl trihexadecanoate. Its classification code is Drug / Therapeutic Agent. It is stable at common pressure and temperature. The product should be stored in cool, ventilated and dry places at the temperature of -20 °C. It should be protected from oxidizers.

Physical properties of Hexadecanoic acid,1,1',1''-(1,2,3-propanetriyl) ester are: (1)ACD/LogP: 22.08; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 22.08; (4)ACD/LogD (pH 7.4): 22.08; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 50; (12)Polar Surface Area: 78.9 Å²; (13)Index of Refraction: 1.464; (14)Molar Refractivity: 243.6 cm³; (15)Molar Volume: 881.2 cm³; (16)Polarizability: 96.57×10^-24cm³; (17)Surface Tension: 34.3 dyne/cm; (18)Density: 0.916 g/cm³; (19)Flash Point: 286.1 °C; (20)Enthalpy of Vaporization: 110.68 kJ/mol; (21)Boiling Point: 759.8 °C at 760 mmHg; (22)Vapour Pressure: 5.52E-23 mmHg at 25°C.

Preparation: this chemical can be prepared by hexadecanoic acid; propane-1,2,3-triol at the temperature of 50 °C. This reaction will need reagent 0.2 M phosphate buffer (pH=7.0) and solvent H₂O with the reaction time of 18 hours. This reaction will also need catalyst lipase from Humicola lanuginosa No.3. The yield is about 45%.

Hexadecanoic acid,1,1',1''-(1,2,3-propanetriyl) ester can be prepared by hexadecanoic acid; propane-1,2,3-triol at the temperature of 50 °C

Uses of Hexadecanoic acid,1,1',1''-(1,2,3-propanetriyl) ester: it can be used to produce N-(2-hydroxy-ethyl)-palmitamide at the temperature of 50-60 °C. It will need reagent 2-amino-ethanol with the reaction time of 8 hours. The yield is about 95.4%.

Hexadecanoic acid,1,1',1''-(1,2,3-propanetriyl) ester can be used to produce N-(2-hydroxy-ethyl)-palmitamide at the temperature of 50-60 °C

When you are using this chemical, please be cautious about it as the following:
It is Harmful if you inhalate or swallow it. Besides, you should avoid it contacting with your skin and eyes and not breathe dust.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC
(2)InChI: InChI=1S/C51H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(52)55-46-48(57-51(54)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h48H,4-47H2,1-3H3
(3)InChIKey: PVNIQBQSYATKKL-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD	intraperitoneal	> 500mg/kg (500mg/kg)		"Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 4, Pg. 380, 1952.