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Triethyl Citrate

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
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
EC Number
201-070-7;201-070-7
Exact Mass
276.12090297
Formal Charge
0
Heavy Atom Count
19
Hydrogen Bond Acceptor Count
7
Hydrogen Bond Donor Count
1
ICSC Number
1350
Isotope Atom Count
0
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
11
RTECS Number
GE8050000
Stability
Stable under recommended storage conditions.
Topological Polar Surface Area
99.1 Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
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
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