Tetradecanoic acid,1,1',1''-(1,2,3-propanetriyl) ester supplier

Name
TRIMYRISTIN
EINECS 209-099-7
CAS No. 555-45-3
Article Data19
CAS DataBase
Density 0.924 g/cm³
Solubility Insoluble in water. Soluble in chloroform, ether, ethanol or dichloromethane
Melting Point 56-57 °C(lit.)
Formula C₄₅H₈₆O₆
Boiling Point 703.5 °C at 760 mmHg
Molecular Weight 723.174
Flash Point 270.9 °C
Transport Information
Appearance white to light beige crystalline powder
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Myristin,tri- (8CI);Tetradecanoic acid, 1,2,3-propanetriyl ester (9CI);Dynasan 114;Glycerin trimyristate;Glycerol trimyristate;Glyceryl trimyristate;Glyceryltritetradecanoate;Myristic acid triglyceride;Myristic triglyceride;NSC 4062;Triglyceride MMM;Trimyristin;Trimyristoylglycerol;Tritetradecanoin;VP 114;
PSA 78.90000
LogP 14.08790

Synthetic route

: 544-63-8
n-tetradecanoic acid

: 56-81-5
glycerol

: 555-45-3
tritetradecanoylglycerol

Conditions

Conditions	Yield
Stage #1: n-tetradecanoic acid; glycerol With sulfuric acid at 119.84℃; for 3h; Stage #2: In chloroform at 69.84℃; for 0.5h;	54%
With phosphate buffer; lipase from Humicola lanuginosa No. 3 In water at 45℃; for 18h;	48.9%
Erhitzen im luftverduennten Raum unter Durchleiten eines trocknen Luftstromes;

: 96-18-4
1,2,3-trichloropropane

: 13429-27-1
potassium myristate

: 555-45-3
tritetradecanoylglycerol

Conditions

Conditions	Yield
at 160℃;

: 56-81-5
glycerol

: 112-64-1
tetradecanoyl chloride

: 555-45-3
tritetradecanoylglycerol

Conditions

Conditions	Yield
With pyridine

: 544-63-8
n-tetradecanoic acid

: 56-81-5
glycerol

A: 555-45-3
tritetradecanoylglycerol

B monomyristin and dimyristin: monomyristin and dimyristin

Conditions

Conditions	Yield
at 250℃;

...Expand

: 555-45-3
tritetradecanoylglycerol

: 124-10-7
methyl myristoate

Conditions

Conditions	Yield
With C16H25N3O2S In methanol at 23℃; for 24h;	99%

: 555-45-3
tritetradecanoylglycerol

: 11-(hexadecylthio)undecan-1-ol

: 11-(hexadecylthio)undecyl tetradecanoate

Conditions

Conditions	Yield
With C18H32N4O6S2(2+)*2Cl(1-) In neat (no solvent) at 110℃; for 6h; Green chemistry;	93%

: 555-45-3
tritetradecanoylglycerol

: 629-63-0
myristonitrile

Conditions

Conditions	Yield
With ammonia at 220℃; for 40h; Autoclave;	91%

: 555-45-3
tritetradecanoylglycerol

: 112-72-1
1-Tetradecanol

Conditions

Conditions	Yield
With 5 wt% Re/TiO2; hydrogen In neat (no solvent) at 230℃; under 37503.8 Torr; for 24h; Autoclave;	86%

: 555-45-3
tritetradecanoylglycerol

: 3443-83-2
glycerin monomyristate

Conditions

Conditions	Yield
With Thermomyces lanuginosa lipase In ethanol at 34.84℃; for 24h;	18%
With ethanol; immobilized Rhizomucor miehei lipase at 25℃; for 9h;

: 555-45-3
tritetradecanoylglycerol

: 7732-18-5
water

A: 544-63-8
n-tetradecanoic acid

B monomyristin: monomyristin

C dimyristin: dimyristin

Conditions

Conditions	Yield
at 200℃;

...Expand

: 555-45-3
tritetradecanoylglycerol

: furan-2,3,5(4H)-trione pyridine (1:1)

A: 544-63-8
n-tetradecanoic acid

B monomyristin: monomyristin

C dimyristin: dimyristin

...Expand

: 555-45-3
tritetradecanoylglycerol

: 67-64-1
acetone

KOH-solution: KOH-solution

A: 544-63-8
n-tetradecanoic acid

B monomyristin: monomyristin

C dimyristin: dimyristin

...Expand

: 555-45-3
tritetradecanoylglycerol

alcoholic KOH-solution: alcoholic KOH-solution

A: 544-63-8
n-tetradecanoic acid

B monomyristin: monomyristin

C dimyristin: dimyristin

D ethylmyristate: ethylmyristate

...Expand

: 555-45-3
tritetradecanoylglycerol

: 102-76-1
triacetylglycerol

A: 7770-09-4
glycerol 1,3-dimyristate

B O-acetyl derivative of glycerol: O-acetyl derivative of glycerol

Conditions

Conditions	Yield
With sodium methylate; xylene und anschliessend mit Glycerin, jeweils bei 60grad;

...Expand

: 67-56-1
methanol

: 555-45-3
tritetradecanoylglycerol

: 124-10-7
methyl myristoate

Conditions

Conditions	Yield
With bismuth(lll) trifluoromethanesulfonate at 150℃; for 0.416667h; Microwave irradiation;	99 %Chromat.
With bismuth(lll) trifluoromethanesulfonate at 150℃; for 0.416667h; Microwave irradiation;	99 %Chromat.

: 555-45-3
tritetradecanoylglycerol

: 28028-62-8, 74257-26-4, 4046-02-0
ethyl ferulate

A: 1135-24-6
3-(4-hydroxy-3-methoxyphenyl)acrylic acid

B: 69790-26-7
1,3-diferuloyl-sn-glycerol

C: C37H50O10

D: C41H68O8

E: C27H42O7

F: C27H42O7

Conditions

Conditions	Yield
With Novozym 435 at 60℃; for 504h; Inert atmosphere; Enzymatic reaction;	A n/a B n/a C 15.59 %Chromat. D 44.46 %Chromat. E 0.99 %Chromat. F 5.52 %Chromat.

...Expand

: 555-45-3
tritetradecanoylglycerol

: 638-58-4
tetradecanamide

Conditions

Conditions	Yield
With ammonia at 180℃; for 6h; Autoclave;	90 %Chromat.

: 555-45-3
tritetradecanoylglycerol

A: 2016-42-4
tetradecylamine

B: 17361-44-3
ditetradecylamine

Conditions

Conditions	Yield
With ammonium hydroxide; hydrogen at 220℃; under 41254.1 Torr; for 36h; Autoclave;	A 54 %Chromat. B 19 %Chromat.

: 555-45-3
tritetradecanoylglycerol

: 23248-47-7
2-(hexadecylthio)ethanol

: 2-(hexadecylthio)ethyl myristate

Conditions

Conditions	Yield
With C18H32N4O6S2(2+)*2Cl(1-) In neat (no solvent) at 110℃; for 6h; Green chemistry;

: 555-45-3
tritetradecanoylglycerol

: C19H40OS

: 11-(octylthio)undecyl myristate

Conditions

Conditions	Yield
With C18H32N4O6S2(2+)*2Cl(1-) In neat (no solvent) at 110℃; for 6h; Green chemistry;

: 555-45-3
tritetradecanoylglycerol

: 11-(dodecylthio)undecanol

: 11-(dodecylthio)undecyl myristate

Conditions

Conditions	Yield
With C18H32N4O6S2(2+)*2Cl(1-) In neat (no solvent) at 110℃; for 6h; Green chemistry;

: 555-45-3
tritetradecanoylglycerol

: 82840-74-2
12-thia-1-triacontanol

: 11-(octadecylthio)undecyl myristate

Conditions

Conditions	Yield
With C18H32N4O6S2(2+)*2Cl(1-) In neat (no solvent) at 110℃; for 6h; Green chemistry;

: 555-45-3
tritetradecanoylglycerol

: 26535-61-5
2-(tetradecylthio)ethanol

: 2-(tetradecylthio)ethyl myristate

Conditions

Conditions	Yield
With C18H32N4O6S2(2+)*2Cl(1-) In neat (no solvent) at 110℃; for 6h; Green chemistry;

Tetradecanoic acid,1,1',1''-(1,2,3-propanetriyl) ester Specification

The Tetradecanoic acid,1,1',1''-(1,2,3-propanetriyl) ester, with the CAS registry number 555-45-3 and EINECS registry number 209-099-7, has the systematic name of propane-1,2,3-triyl tritetradecanoate. It is a kinf of white to light beige crystalline powder, and the molecular formula of the chemical is C₄₅H₈₆O₆.

The characteristics of Tetradecanoic acid,1,1',1''-(1,2,3-propanetriyl) ester are as followings: (1)ACD/LogP: 18.89; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 18.89; (4)ACD/LogD (pH 7.4): 18.89; (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: 44; (12)Polar Surface Area: 78.9 Å²; (13)Index of Refraction: 1.463; (14)Molar Refractivity: 215.81 cm³; (15)Molar Volume: 782.1 cm³; (16)Polarizability: 85.55×10^-24cm³; (17)Surface Tension: 34.3 dyne/cm; (18)Density: 0.924 g/cm³; (19)Flash Point: 270.9 °C; (20)Enthalpy of Vaporization: 102.94 kJ/mol; (21)Boiling Point: 703.5 °C at 760 mmHg; (22)Vapour Pressure: 1.23E-19 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OCC(OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC)CCCCCCCCCCCCC
(2)InChI: InChI=1/C45H86O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-43(46)49-40-42(51-45(48)39-36-33-30-27-24-21-18-15-12-9-6-3)41-50-44(47)38-35-32-29-26-23-20-17-14-11-8-5-2/h42H,4-41H2,1-3H3
(3)InChIKey: DUXYWXYOBMKGIN-UHFFFAOYAC

Product Name

TRIMYRISTIN

Synthetic route

Tetradecanoic acid,1,1',1''-(1,2,3-propanetriyl) ester Specification

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