CAS 77-93-0 Triethyl Citrate, FCC - Materials / Alfa Chemistry

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Triethyl Citrate, FCC

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Catalog Number

ACM77930-1

Product Name

Triethyl Citrate, FCC

Structure

CAS

77-93-0

Category

Plasticizers

Description

Liquid;Odourless, practically colourless, oily liquid;Solid;COLOURLESS OILY LIQUID.;practically colourless, oily liquid; bitter taste; little odour

IUPAC Name

triethyl 2-hydroxypropane-1,2,3-tricarboxylate

Molecular Weight

276.28g/mol

Molecular Formula

C12H20O7;C12H20O7;(CH2COOC2H5)2COHCOOC2H5;C12H20O7

Canonical SMILES

CCOC(=O)CC(CC(=O)OCC)(C(=O)OCC)O

InChI

InChI=1S/C12H20O7/c1-4-17-9(13)7-12(16,11(15)19-6-3)8-10(14)18-5-2/h16H,4-8H2,1-3H3

InChI Key

DOOTYTYQINUNNV-UHFFFAOYSA-N

Boiling Point

294.0 °C;294 °C;294 °C

Melting Point

< 25 °C;-55 °C;<25°C;-55 °C

Flash Point

155 °C (311 °F) - closed cup;151 °C

Density

d25 1.14;1.1369 g/cu cm at 20 °C;Relative density (water = 1): 1.1;1.138-1.139

Solubility

0.24 M;65 mg/mL;In water, 6.50X10+4 mg/L at room temp;In peanut oil: 0.8%; miscible with alcohol, ethanol, ether;Slightly soluble in carbon tetrachloride; soluble in ethanol, ethyl ether;65 mg/mL;Solubility in water: moderate;slightly soluble in water; miscible with alcohol and ether

Color/Form

Oily liquid;Colorless, mobile liquid

Complexity

304

Covalently-Bonded Unit Count

EC Number

201-070-7;201-070-7

Exact Mass

276.120903g/mol

Formal Charge

Heavy Atom Count

ICSC Number

1350

MeSH Entry Terms

ethyl citrate;triethyl citrate

Monoisotopic Mass

276.120903g/mol

NSC Number

8907

Odor

Fruity odor

Other Experimental

Pour point about 10 °C;Vapor pressure = 1 mm Hg at 107.0 °C;Pour point -46 °C;Henry's Law constant = 3.8X10-9 atm-cu m/mole at 25 °C (est);Hydroxyl radical reaction rate constant = 7.3X10-12 cu cm/mole-sec at 25 °C (est)

Refractive Index

[n]D/20: 1,439-1,441;Index of refraction = 1.4455 at 20 °C/D;1.440-1.444

Rotatable Bond Count

RTECS Number

GE8050000

Stability

Stable under recommended storage conditions.

UNII

8Z96QXD6UM

Vapor Pressure

6.87e-04 mmHg;6.87X10-4 mm Hg at 25 °C (extrapolated);Vapor pressure, Pa at 25 °C: 0.3

Viscosity