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Tricaproin

Tricaproin structure

CAS No:
621-70-5
Formula:
C21H38O6
Chemical Name:
Tricaproin
Synonyms:
Hexanoic acid,1,1′,1′′-(1,2,3-propanetriyl) ester;Hexanoin,tri-;Hexanoic acid,1,2,3-propanetriyl ester;Caproin,tri-;Tricaproin;Tricapronin;Trihexanoylglycerol;Glycerol tricaproate;Caproic triglyceride;Trihexanoin;Tricaproylglycerol;Glyceryl tricaproate;Glycerin trihexanoate;Glycerin tricaproate;NSC 406885;Glycerol tricapronate;Glycerol trihexanoate;Glyceryl trihexanoate;2,3-Di(hexanoyloxy)propyl hexanoate
Categories:
Organic Chemistry > Carboxylic Acids and Derivatives

Description

It is very soluble in alcohol and ether and insoluble in water.

Liquid

Tricaproin is a triglyceride obtained by condensation of each of the three hydroxy groups of glycerol with hexanoic (caproic) acid. It has a role as an insect repellent. It is a triglyceride and a hexanoate ester.

Tricaproin Basic Attributes

Molecular Weight：

386.52

Exact Mass：

386.52

EC Number：

210-701-5

UNII：

EZ1Y9R895Y

NSC Number：

406885

DSSTox ID：

DTXSID4060737

HScode：

2917190090

Characteristics

PSA：

78.9

XLogP3：

4.72550

Appearance：

Liquid

Density：

0.9821 g/cm³ @ Temp: 20 °C

Melting Point：

-60 °C

Boiling Point：

>200 °C

Flash Point：

180.2ºC

Refractive Index：

n20/D 1.442

Water Solubility：

0.00045 mg/mL at 37 °C

Storage Conditions：

−20°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

23-24/25

RTECS Number：

MB2700000

Precautionary statement(s)：

P261-P280-P301 + P312 + P330

Hazard Statements：

H302 + H312 + H332

Drug Information

MeSH Entry Terms：

tricaproin

Tricaproin Use and Manufacturing

Uses

Lubricants and lubricant additives

Production

25,000 - 100,000 lb

Manufacturing Info：

Textiles, apparel, and leather manufacturing|Hexanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester: ACTIVE

Computed Properties

Molecular Weight:386.5
XLogP3:5.7
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:20
Exact Mass:386.26683893
Monoisotopic Mass:386.26683893
Topological Polar Surface Area:78.9
Heavy Atom Count:27
Complexity:382
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes