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

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Triacetin, CP

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Catalog Number

ACM102761-4

Product Name

Triacetin, CP

Structure

CAS

102-76-1

Category

Plasticizers

Description

Liquid;Colourless, somewhat oily liquid having a slightly fatty odour;Liquid;Liquid;COLOURLESS OILY LIQUID.;colourless oily liquid with a very slight, ethereal, fruity odour

IUPAC Name

2,3-diacetyloxypropyl acetate

Molecular Weight

218.2g/mol

Molecular Formula

C9H14O6;C9H14O6;C3H5(OCOCH3)3;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

259.0 °C;258-259 °C;258 °C

Melting Point

Mp -78 °;-78 °C;-78°C;3 °C

Flash Point

280 °F (138 °C) (closed cup);138 °C c.c.

Density

d204 1.16;1.1583 g/cu cm at 20 °C;Relative density (water = 1): 1.16;1.154-1.159

Solubility

0.27 M;58 mg/mL at 25 °C;In water, 52,130 mg/L at 24.5 °C;In water, 58,000 mg/L at 25 °C;Slightly soluble in carbon disulfide; miscible with alcohol, ether, chloroform;Miscible with benzene; very soluble in acetone;Slightly soluble in carbon tetrachloride;Very soluble in alcohol, ether, and organic solvents;58 mg/mL at 25 °C;Solubility in water, g/100ml at 25 °C:;moderately soluble in water; soluble in organic solvents;miscible (in ethanol)

Color/Form

Colorless liquid;Colorless somewhat oily liquid

Complexity

229

Covalently-Bonded Unit Count

EC Number

203-051-9;203-051-9

Exact Mass

218.079038g/mol

Formal Charge

Heavy Atom Count

ICSC Number

1203

Log P

0.25 (LogP);0.25;log Kow = 0.25;0.25;0.21

MeSH Entry Terms

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

Monoisotopic Mass

218.079038g/mol

NSC Number

757364;4796

Odor

Slightly fatty odor;Slightly fruity or 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

[n]D/25 between 1,429 and 1,431;n20D 1.4310;Index of refraction = 1.4312 at 20 °C/D;1.424-1.432

Rotatable Bond Count

RTECS Number

AK3675000

Stability

Chemical stability: Stable under recommended storage conditions.;Stable in usual industrial conditions.

UNII

XHX3C3X673

Vapor Density

7.52 (Air = 1);Relative vapor density (air = 1): 7.52

Vapor Pressure