Tributyrin supplier | CasNO.60-01-5

Name
Tributyrin
EINECS 200-451-5
CAS No. 60-01-5
Article Data24
CAS DataBase
Density 1.054 g/cm³
Solubility Not miscible in water.
Melting Point -75 °C
Formula C₁₅H₂₆O₆
Boiling Point 307.499 °C at 760 mmHg
Molecular Weight 302.368
Flash Point 143.415 °C
Transport Information
Appearance colourless liquid
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Butyrin,tri- (6CI,8CI);Butyryl triglyceride;Glycerin tributyrate;Glyceroltributanoate;Glycerol tributyrate;Glyceroltributyrin;Glyceryl tributanoate;Glyceryl tributyrate;NSC 661583;Tri-n-butyrin;Tributanoin;Tributin;Tributyrin;Tributyroin;Tributyryl glyceride;Tributyrylglycerol;
PSA 78.90000
LogP 2.38490

Synthetic route

: 56-81-5
glycerol

: 107-92-6
butyric acid

: 60-01-5
tributyrin

Conditions

Conditions	Yield
With phosphoric acid; aminosulfonic acid at 100℃; for 12h; Catalytic behavior; Reagent/catalyst; Temperature; Green chemistry;	96.17%
With sodium hydrogen sulfate at 150℃; Reagent/catalyst; Large scale;	96.49%
With sulfonated charcoal In benzene for 7h; Heating;	94%

: 106-31-0
butanoic acid anhydride

: 56-81-5
glycerol

: 107-92-6
butyric acid

: 60-01-5
tributyrin

Conditions

Conditions	Yield
With SBA-15-sulfonic acid mesoporous molecular sieve; ZSM-5 acid zeolite at 100℃; Temperature; Green chemistry;	95.3%

...Expand

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

: 156-54-7
sodium butyrate

: 60-01-5
tributyrin

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

: 5076-24-4
silver butyrate

: 60-01-5
tributyrin

Conditions

Conditions	Yield
With xylene

: 106-31-0
butanoic acid anhydride

: 56-81-5
glycerol

: 60-01-5
tributyrin

Conditions

Conditions	Yield
With camphoric acid
With sulfuric acid at 204℃;

: 156-54-7
sodium butyrate

: 56-81-5
glycerol

: 60-01-5
tributyrin

Conditions

Conditions	Yield
With phosphorus pentachloride at 200℃;

: 107-92-6
butyric acid

glycerol-α.α'-dibutyrate: glycerol-α.α'-dibutyrate

: 60-01-5
tributyrin

Conditions

Conditions	Yield
unter staendiger Entfernung des entstehenden Wassers;

: 106-31-0
butanoic acid anhydride

: 144-55-8
sodium hydrogencarbonate

: 60-01-5
tributyrin

Conditions

Conditions	Yield
With hydrogenchloride In pyridine; water; glycerol	29.6 g (98%)

: 56-81-5
glycerol

: 107-92-6
butyric acid

A: 60-01-5
tributyrin

B: 557-25-5
1-monobutyrin

C: 30403-46-4, 96739-06-9, 101469-20-9, 24814-35-5
β-dibutyrin

D: 70916-53-9
2-monobutyroylglycerol

E: 17364-00-0
1,3-dibutanoyloxy-2-propanol

Conditions

Conditions	Yield
at 115℃; for 24h;

...Expand

: 56-81-5
glycerol

: 107-92-6
butyric acid

A: 60-01-5
tributyrin

B: 30403-46-4, 96739-06-9, 101469-20-9, 24814-35-5
β-dibutyrin

C: 17364-00-0
1,3-dibutanoyloxy-2-propanol

Conditions

Conditions	Yield
With sulphonated hydrothermal carbon at 115℃; for 24h; Catalytic behavior; chemoselective reaction;

...Expand

: 141-75-3
butyryl chloride

: 56-81-5
glycerol

: 60-01-5
tributyrin

Conditions

Conditions	Yield
With triethylamine In chloroform for 3h; Time; Cooling with ice;	39.9 g

: 106-89-8
epichlorohydrin

: 107-92-6
butyric acid

: 60-01-5
tributyrin

Conditions

Conditions	Yield
With graphite oxide at 80℃; for 3h; regioselective reaction;	97 %Chromat.

: 67-56-1
methanol

: 60-01-5
tributyrin

: 623-42-7
butanoic acid methyl ester

Conditions

Conditions	Yield
With strontium hydroxide; dihexyl ether at 60℃; Reagent/catalyst; Concentration; Time;	98%
With carbon-based sulfonated solid acid prepared at 150 °C at 80℃; for 8h; Catalytic behavior; Kinetics; Reagent/catalyst;	97.2%
With Et3N-grafted carbon nanotubes at 60℃; for 8h; Inert atmosphere;

: 60-01-5
tributyrin

: 98-85-1, 13323-81-4
1-Phenylethanol

A: 1445-91-6
(S)-1-phenylethanol

B: 89378-61-0
(R)-1-phenylethyl butyrate

Conditions

Conditions	Yield
With Candida antarctica lipase B at 40℃; for 6h; Kinetics; Temperature; Resolution of racemate; Enzymatic reaction; enantioselective reaction;	A n/a B 98%

...Expand

: 60-01-5
tributyrin

: 109-74-0
propyl cyanide

Conditions

Conditions	Yield
With ammonia at 220℃; for 40h; Autoclave;	94%

: 60-01-5
tributyrin

: 100-61-8
N-methylaniline

: 3416-49-7
N-butyl-N-methylaniline

Conditions

Conditions	Yield
With tris(2,4-pentanedionato)ruthenium(III); hydrogen; bis(trifluoromethanesulfonyl)amide; [2-((diphenylphospino)methyl)-2-methyl-1,3-propanediyl]bis[diphenylphosphine] In tetrahydrofuran at 130℃; under 45004.5 Torr; for 18h; Autoclave;	90%

: 60-01-5
tributyrin

: 81-07-2
saccharin

: C18H23NO7S

Conditions

Conditions	Yield
With scandium tris(trifluoromethanesulfonate) at 150℃; for 24h; Sealed tube;	90%

: 496-15-1
1-indoline

: 60-01-5
tributyrin

: 5876-10-8
N-n-butyl-2,3-dihydroindole

Conditions

Conditions	Yield
With tris(2,4-pentanedionato)ruthenium(III); hydrogen; bis(trifluoromethanesulfonyl)amide; [2-((diphenylphospino)methyl)-2-methyl-1,3-propanediyl]bis[diphenylphosphine] In tetrahydrofuran at 130℃; under 45004.5 Torr; for 18h; Autoclave;	89%

: 60-01-5
tributyrin

: 86227-47-6
eicosapentaenoic acid ethyl ester

: 99660-94-3
triglyceride of eicosapentaenoic acid

Conditions

Conditions	Yield
With immobilized lipase from Candida Antarctica at 65℃; under 0.01 - 0.1 Torr; for 72h;	86%

: 60-01-5
tributyrin

: 71-36-3
butan-1-ol

Conditions

Conditions	Yield
With carbonylhydrido(tetrahydroborato)[bis(2-diphenylphosphinoethyl)amino]ruthenium(II); hydrogen In toluene at 100℃; under 30003 Torr; for 18h; Autoclave; Inert atmosphere; Glovebox;	84%
With 5 wt% Re/TiO2; hydrogen In neat (no solvent) at 220℃; under 37503.8 Torr; for 24h; Autoclave;	83%

: 60-01-5
tributyrin

: 4128-31-8
rac-octan-2-ol

: 89378-60-9
(R)-(-)-2-octyl butyrate

Conditions

Conditions	Yield
With phosphate buffer for 140h; Ambient temperature; yeast lipase catalyzed transesterification;	82%

: 60-01-5
tributyrin

: 98-85-1, 13323-81-4
1-Phenylethanol

: 89378-61-0
(R)-1-phenylethyl butyrate

Conditions

Conditions	Yield
With phosphate buffer for 150h; Ambient temperature; yeast lipase catalyzed transesterification;	82%

: 60-01-5
tributyrin

: 81926-94-5
all-(Z)-ethyl 4,7,10,13,16,19-docosahexaenoate

: 124596-98-1
triglyceride of docosahexaenoic acid

Conditions

Conditions	Yield
With immobilized lipase from Candida Antarctica at 65℃; under 0.01 - 0.1 Torr; for 72h;	81%

: 60-01-5
tributyrin

: 17272-83-2
N1-benzyl-benzene-1,4-diamine

: 1194828-79-9
N1-benzyl-N4-butylbenzene-1,4-diamine

Conditions

Conditions	Yield
With tris(2,4-pentanedionato)ruthenium(III); hydrogen; bis(trifluoromethanesulfonyl)amide; [2-((diphenylphospino)methyl)-2-methyl-1,3-propanediyl]bis[diphenylphosphine] In tetrahydrofuran at 130℃; under 45004.5 Torr; for 18h; Autoclave;	80%

: 60-01-5
tributyrin

: 4630-06-2, 1569-60-4
6-methylhept-5-en-2-ol

: (S)-6-methyl-5-hepten-2-yl butyrate

Conditions

Conditions	Yield
With phosphate buffer for 128h; Ambient temperature; yeast lipase catalyzed transesterification;	79%

: 60-01-5
tributyrin

: 584-03-2
1,2-dihydroxybutane

: (S)-2-hydroxybut-1-yl butyrate

Conditions

Conditions	Yield
With phosphate buffer for 36h; Ambient temperature; yeast lipase catalyzed transesterification;	79%

: 60-01-5
tributyrin

: 153-78-6
2-aminofluorene

: 93405-87-9
N-butyl-9H-fluoren-2-amine

Conditions

Conditions	Yield
With tris(2,4-pentanedionato)ruthenium(III); hydrogen; bis(trifluoromethanesulfonyl)amide; [2-((diphenylphospino)methyl)-2-methyl-1,3-propanediyl]bis[diphenylphosphine] In tetrahydrofuran at 130℃; under 45004.5 Torr; for 18h; Autoclave;	78%

: 60-01-5
tributyrin

: 127-00-4
1-Chloro-2-propanol

: (R)-1-chloro-2-propyl butyrate

Conditions

Conditions	Yield
With phosphate buffer for 52h; Ambient temperature; yeast lipase catalyzed transesterification;	76%

: 60-01-5
tributyrin

: 78-92-2, 15892-23-6
iso-butanol

: 89378-59-6
(R)-2-butyl butyrate

Conditions

Conditions	Yield
With phosphate buffer for 40h; Ambient temperature; yeast lipase catalyzed transesterification;	75%

: 60-01-5
tributyrin

: 616-23-9
2,3-Dichloro-1-propanol

: (R)-2,3-dichloroprop-1-yl butyrate

Conditions

Conditions	Yield
With phosphate buffer for 50h; Ambient temperature; yeast lipase catalyzed transesterification;	70%

lipase "Amano CES: lipase "Amano CES

: 60-01-5
tributyrin

: 103253-60-7, 121522-26-7, 121522-27-8, 6999-19-5
4-trimethylsilyl-3-butyn-2-ol

: R-1-trimethylsilyl-1-butyne-3-yl butyrate

Conditions

Conditions	Yield
	70%

...Expand

: 60-01-5
tributyrin

: 640-61-9
N-methyl-p-toluenesulfonylamide

: C19H29NO6S

Conditions

Conditions	Yield
With hafnium(IV) trifluoromethanesulfonate at 120℃; for 24h; Sealed tube;	48%

: 60-01-5
tributyrin

: 17364-00-0
1,3-dibutanoyloxy-2-propanol

Conditions

Conditions	Yield
bei der Spaltung durch Pankreaslipase;

: 60-01-5
tributyrin

: 6032-29-7
(+/-)-2-pentanol

A: 31087-44-2
(R)-2-pentanol

B: (S)-2-pentyl butanoate

Conditions

Conditions	Yield
In water at 35 - 37℃; for 140h; Candida cylindracea lipase immobilized on Amberlite IRA-938, pH 7.3; Yield given. Yields of byproduct given;

...Expand

: 60-01-5
tributyrin

: 584-02-1
2-pentanol

: 117903-18-1
pentan-3-yl butyrate

Conditions

Conditions	Yield
In water at 35 - 37℃; for 140h; Candida cylindracea lipase immobilized on Amberlite IRA-938, pH 7.3; Yield given;

: 60-01-5
tributyrin

: 137-32-6
(+/-)-2-methyl-1-butanol

A: 1565-80-6
(2S)-2-methyl-1-butanol

B: Butyric acid (R)-2-methyl-butyl ester

Conditions

Conditions	Yield
In water at 35 - 37℃; for 140h; Candida cylindracea lipase immobilized on Amberlite IRA-938, pH 7.3; Yield given. Yields of byproduct given;

...Expand

Tributyrin Consensus Reports

Reported in EPA TSCA Inventory.

Tributyrin Specification

The Tributyrin, with the CAS registry number 60-01-5, is also known as Butyrin, tri-. It belongs to the product categories of Functional Materials; Plasticizer; Polyalcohol Ethers, Esters (Plasticizer). Its EINECS registry number is 200-451-5. This chemical's molecular formula is C₁₅H₂₆O₆ and molecular weight is 302.36. Its IUPAC name is called 2,3-di(butanoyloxy)propyl butanoate. When you are using this chemical, please be cautious about it. You must avoid contact with skin and eyes. Tributyrin is also used in microbiological laboratories to identify the bacterium Moraxella catarrhalis. Tributyrin is a stable and rapidly absorbed prodrug of butyric acid which enhances antiproliferative effects of dihydroxycholecalciferol in human colon cancer cells.

Physical properties of Tributyrin: (1)ACD/LogP: 3.27; (2)ACD/LogD (pH 5.5): 3.273; (3)ACD/LogD (pH 7.4): 3.273; (4)ACD/BCF (pH 5.5): 180.955; (5)ACD/BCF (pH 7.4): 180.955; (6)ACD/KOC (pH 5.5): 1437.395; (7)ACD/KOC (pH 7.4): 1437.395; (8)#H bond acceptors: 6; (9)#Freely Rotating Bonds: 14; (10)Index of Refraction: 1.448; (11)Molar Refractivity: 76.825 cm³; (12)Molar Volume: 286.96 cm³; (13)Surface Tension: 35.51 dyne/cm; (14)Density: 1.054 g/cm³; (15)Flash Point: 143.415 °C; (16)Enthalpy of Vaporization: 54.81 kJ/mol; (17)Boiling Point: 307.499 °C at 760 mmHg; (18)Vapour Pressure: 0.001 mmHg at 25°C.

Preparation of Tributyrin: this chemical can be prepared by butyric acid and propane-1,2,3-triol. This reaction will need reagent aluminium sulfate.

Tributyrin can be prepared by butyric acid and propane-1,2,3-triol

Uses of Tributyrin: it can be used to produce (R)-2-octyl butyrate at ambient temperature. This reaction will need reagent 0.1 M phosphate buffer with reaction time of 140 hours. The yield is about 82%.

Tributyrin can be used to produce (R)-2-octyl butyrate at ambient temperature

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC
(2)InChI: InChI=1S/C15H26O6/c1-4-7-13(16)19-10-12(21-15(18)9-6-3)11-20-14(17)8-5-2/h12H,4-11H2,1-3H3
(3)InChIKey: UYXTWWCETRIEDR-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	320mg/kg (320mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION	Acta Physiologica Scandinavica. Vol. 40, Pg. 338, 1957.
mouse	LD50	oral	12800mg/kg (12800mg/kg)		Kodak Company Reports. Vol. 21MAY1971,
rat	LC	inhalation	> 75ppm/6H (75ppm)		Kodak Company Reports. Vol. 21MAY1971,
rat	LD50	oral	3200mg/kg (3200mg/kg)		Kodak Company Reports. Vol. 21MAY1971,

Product Name

Tributyrin

Synthetic route

Tributyrin Consensus Reports

Tributyrin Specification

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