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

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Triacetin

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Catalog Number

ACM102761-1

Product Name

Triacetin

Structure

CAS

102-76-1

Category

Plastic Additives

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

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