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

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Triethyl Citrate

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Catalog Number

ACM77930-2

CAS Number

77-93-0

Product Name

Triethyl Citrate

Structure

Category

Plastic Additives; Plasticizers

Synonyms

2,3-Propanetricarboxylicacid,2-hydroxy-triethylester

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

276.28

Molecular Formula

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

235 °C/150 mmHg(lit.)

Melting Point

-55 °C

Flash Point

>230 °F

Purity

99%

Density

1.14 g/mL at 25 °C(lit.)

Solubility

Slightly soluble in water

Appearance

Clear liquid

Storage

Store below +30 °C

Color/Form

Oily liquid;Colorless, mobile liquid

Complexity

304

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

Defined Bond Stereocenter Count

EC Number

201-070-7;201-070-7

Exact Mass

276.12090297

Formal Charge

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

ICSC Number

1350

Isotope Atom Count

MeSH Entry Terms

ethyl citrate;triethyl citrate

Monoisotopic Mass

276.12090297

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

n20/D 1.442(lit.)

Rotatable Bond Count

RTECS Number

GE8050000

Stability

Stable under recommended storage conditions.

Topological Polar Surface Area

99.1 Å²

Undefined Atom Stereocenter Count

Undefined Bond Stereocenter Count

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

35.2 cP at 25 °C

XLogP3

0.1

MSDS

Download MSDS

COA

Download COA

Spec Sheet

Download Spec Sheet

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CAS
Size
Purity
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77-93-0
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99%
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