CAS 102-76-1 Triacetin - Materials / Alfa Chemistry

NAVIGATION

Triacetin

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Catalog Number

ACM102761-1

CAS Number

102-76-1

Product Name

Triacetin

Structure

Category

Plastic Additives; Plasticizers

Synonyms

1,3-Diacetyloxypropan-2-yl acetate

Description

The triglyceride 1,2,3-triacetoxypropane is more generally known as triacetin and glycerin triacetate. It is the triester of glycerol and acetylating agents, such as acetic acid and acetic anhydride. It is a colorless, viscous and odorless liquid.

IUPAC Name

2,3-Diacetyloxypropyl acetate

Molecular Weight

218.2

Molecular Formula

C9H14O6

Canonical SMILES

CC(=O)OCC(COC(=O)C)OC(=O)C

InChI

InChI=1S/C9H14O6/c1-6(10)13-4-9(15-8(3)12)5-14-7(2)11/h9H,4-5H2,1-3H3

InChI Key

URAYPUMNDPQOKB-UHFFFAOYSA-N

Boiling Point

258-260 °C(lit.)

Melting Point

3 °C(lit.)

Flash Point

300 °F

Purity

99%+

Density

1.16 g/mL at 25 °C(lit.)

Solubility

Moderately soluble in water, soluble in organic solvents

Appearance

Clear colorless liquid

Application

Triacetin serves a versatile role across multiple industries primarily due to its unique chemical properties. It is a triglyceride formed by the acetylation of glycerol's three hydroxy groups, resulting in a colorless, viscous liquid with a slightly fatty odor. Known chemically as glyceryl triacetate, triacetin is predominantly employed as a hydrophilic plasticizer in the coating of capsules, tablets, beads, and granules, enhancing the flexibility and durability of these materials. Moreover, it finds application in cosmetics, perfumery, and the food industry as an effective solvent and fixative for perfumes and flavors. Triacetin also exhibits fungistatic properties because it releases acetic acid upon hydrolysis by skin esterases, which makes it useful in treating minor dermatophyte infections. This release of acetic acid, while beneficial, is self-limiting due to the inhibition of these enzymes at lower pH levels. Through its multifaceted functionality, triacetin effectively contributes to various formulations, offering enhanced performance and stability.

Storage

Sealed in dry, room temperature

Color/Form

Colorless liquid;Colorless somewhat oily liquid

Complexity

229

Covalently-Bonded Unit Count

EC Number

203-051-9;203-051-9

Exact Mass

218.07903816

Formal Charge

Heavy Atom Count

ICSC Number

1203

Log P

0.04430

MDL Number

MFCD00008716

MeSH Entry Terms

Enzactin;Triacetin;Triacetyl glycerol;Triacetyl-glycerol;Triacetylglycerol

Monoisotopic Mass

218.07903816

NSC Number

757364;4796

Odor

Slightly fatty odor

Other Experimental

Bulk density: 9.7 lb/gal;VP: 1 mm Hg at 100 °C;Henry's Law constant = 1.2X10-8 at 25 °C atm-cu m/mole at 25 °C (est);Hydroxyl radical reaction rate constant = 8.5X10-12 cu cm/mole-sec at 25 °C (est)

Refractive Index

n25/D 1.429-1.431(lit.)

Rotatable Bond Count

RTECS Number

AK3675000

Stability

Stable. Incompatible with strong oxidizing agents. Combustible.

Storage Conditions

Dry place,Room Temperature

Topological Polar Surface Area

78.9 Å²

UNII