• Name

  TRIHEXANOIN

• EINECS 210-701-5
• CAS No. 621-70-5
• Article Data8
• CAS DataBase
• Density 1.001 g/cm³
• Solubility
• Melting Point -60℃
• Formula C21H38 O6
• Boiling Point 429.8 °C at 760 mmHg
• Molecular Weight 386.529
• Flash Point 180.2 °C
• Transport Information
• Appearance CLEAR COLORLESS LIQUID
• Safety Poison by intravenous route. When heated to decomposition it emits acrid smoke and irritating fumes.
• Risk Codes
• Molecular Structure
• Hazard Symbols
• Synonyms Caproin,tri- (4CI); Hexanoic acid, 1,2,3-propanetriyl ester (9CI); Hexanoin, tri-(6CI,7CI,8CI); Caproic triglyceride; Glycerin tricaproate; Glycerintrihexanoate; Glycerol tricaproate; Glyceryl tricaproate; NSC 406885;Tricaproin; Tricapronin; Tricaproylglycerol; Trihexanoin; Trihexanoylglycerol
• PSA 78.90000
• LogP 4.72550

Synthetic route

56-81-5

glycerol

142-62-1

hexanoic acid

621-70-5

hexanoic acid, 1,2,3-propanetriyl ester

Conditions

Conditions	Yield
With sulfonated charcoal In benzene for 7h; Heating;	94%
With glucose-diphenylaminium tosylate-derived carbon solid acid (GDTCSA) In n-heptane at 80℃; for 18h;	93%
With tungsten(VI) oxide at 175℃; under 10 Torr; for 22h; Reagent/catalyst; Dean-Stark;	85%
im Vakuum bvei geichzeitigen Durchleiten eines schwachen Stromes trockner Luft;
With dmap; dicyclohexyl-carbodiimide 1.) CH2Cl2, 2.) CH2Cl2; Multistep reaction;

56-81-5

glycerol

142-62-1

hexanoic acid

A

502-53-4

2,3-dihydroxypropyl hexanoate

B

70916-55-1

2-hexanoyloxy-propane-1,3-diol

C

17598-91-3

O,O-1,2-dihexanoylglycerol

D

621-70-5

hexanoic acid, 1,2,3-propanetriyl ester

E

17598-92-4

hexanoic acid 3-hexanoyloxy-2-hydroxypropyl ester

Conditions

Conditions	Yield
With Nafion silica-13 nanocomposite

...Expand

621-70-5

hexanoic acid, 1,2,3-propanetriyl ester

628-73-9

hexanenitrile

Conditions

Conditions	Yield
With ammonia at 220℃; for 40h; Autoclave;	93%

621-70-5

hexanoic acid, 1,2,3-propanetriyl ester

111-27-3

hexan-1-ol

Conditions

Conditions	Yield
With 5 wt% Re/TiO2; hydrogen In neat (no solvent) at 220℃; under 37503.8 Torr; for 36h; Autoclave;	82%

621-70-5

hexanoic acid, 1,2,3-propanetriyl ester

111-42-2

2,2'-iminobis[ethanol]

29752-80-5

hexanoyl diethanolamide

Conditions

Conditions	Yield
With Candida antarctica lipase In acetonitrile at 50℃; for 24h;	18.2%

106-24-1

Geraniol

621-70-5

hexanoic acid, 1,2,3-propanetriyl ester

10032-02-7

geraniol hexanoate

Conditions

Conditions	Yield
With Pseudomonas sp. lipase PS In hexane at 30℃; for 24h; also DL-citronellol and tributyrin; effect of enzyme load, concentration of reagents, addtion of water and pH; var. temp. and solvents;

621-70-5

hexanoic acid, 1,2,3-propanetriyl ester

A

30403-47-5

1,2-dihexanoyl-sn-glycerol

B

Hexanoic acid (R)-2-hexanoyloxy-1-hydroxymethyl-ethyl ester

Conditions

Conditions	Yield
With oat seed lipase; water at 37℃; for 0.0833333h; pH 8.5 (Tris-HCl buffer);

621-70-5

hexanoic acid, 1,2,3-propanetriyl ester

penicillium glaucum

penicillium glaucum

107-87-9

2-Pentanone

621-70-5

hexanoic acid, 1,2,3-propanetriyl ester

142-62-1

hexanoic acid

Conditions

Conditions	Yield
With Psychrobacter sp. TA144 lipase, recombinant, containing MPILPV sequence at N-terminal, apparent molecular mass: ca. 48000 Da In acetonitrile at 35℃; pH=8; Kinetics; aq. buffer; Enzymatic reaction;
With recombinant esterase from Rhizomucor miehei In aq. phosphate buffer at 50℃; for 0.166667h; pH=6.5; Catalytic behavior; Enzymatic reaction;

621-70-5

hexanoic acid, 1,2,3-propanetriyl ester

628-02-4

Caproamide

Conditions

Conditions	Yield
With ammonia at 180℃; for 5h; Autoclave;	82 %Chromat.

621-70-5

hexanoic acid, 1,2,3-propanetriyl ester

A

111-26-2

hexan-1-amine

B

143-16-8

dihexylamine

Conditions

Conditions	Yield
With ammonium hydroxide; hydrogen at 220℃; under 41254.1 Torr; for 36h; Autoclave;	A 48 %Chromat. B 33 %Chromat.

Glycerol trihexanoate Chemical Properties

Glycerol trihexanoate Toxicity Data With Reference

Glycerol trihexanoate Consensus Reports

Glycerol trihexanoate Safety Profile

Glycerol trihexanoate Specification