triethyl citrate
 
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IUPAC name :1,2,3-triethyl 2-hydroxypropane-1,2,3-tricarboxylate
InChI :InChI=1/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
InChIKey :DOOTYTYQINUNNV-UHFFFAOYAG
SMILES :CCOC(=O)CC(CC(=O)OCC)(C(=O)OCC)O
(EINECS) number :201-070-7
cas number :77-93-0
beilstein number :1801199
fema number :3083
coe number :11762
jecfa number :629
fl. number :09.512
molar refractivity :64.46 ± 0.3 cm3
parachor :595.5 ± 4.0 cm3
index of refraction :1.461 ± 0.02
surface tension :41.5 ± 3.0 dyne/cm
density :1.177 ± 0.06 g/cm3
polarizability :25.55 ± 0.5 10-24cm3
molecular weight : 276.2830000
formula :C12 H20 O7
 
 
fda reg :175.300
175.320
181.27
h. number :2918.15.0000
organoleptics : 
odor type :odorless
odor strength :none
odor description :
at 100.00 %.  
odorless
substantivity :216  Hour(s)
properties : 
appearence :colorless clear oily liquid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :Yes
specific gravity :1.13500 - 1.13900 @ 25.00 °C.
pounds per gallon - calc. : 9.444 to 9.478
refractive index :1.43200 - 1.44400 @ 20.00 °C.
melting point : -46.00 °C. @ 760.00 mm Hg
boiling point : 127.00 °C. @ 1.00 mm Hg
acid value : 0.50  max.  KOH/g
logp : 0.33
shelf life : 24.00 month(s) or longer if stored properly.
storage :store in cool, dry place in tightly sealed containers, protected from heat and light.
safety : 
most important hazard(s) : None - None
  
Oral Toxicity(LD50) : Oral-Rat    5900.00  mg/kg  IYKEDH  16,214,1985
Gavage-Rat    7000.00  mg/kg    (Finkelstein & Gold, 1959)
Dermal Toxicity(LD50) : Skin-Rabbit  >5.00  gm/kg  FCTXAV  17,389,1979
Maximised Survey-derived Daily Intakes (MSDI) :2900.00 (μg/capita/day)
  
flash point ( Deg. F. ) : 245.00  °F.  TCC  ( 118.33 °C. )
  
recommendation for triethyl citrate usage levels up to :
  20.0000 % in the fragrance concentrate.
  
safety links : 
msds :msds
  
(EINECS) number :201-070-7
rtecs :GE8050000 for 77-93-0
chemidplus :000077930
epa-srs :77-93-0
dtp/nci :8907
  
other : 
  C of A     
references : 
jecfa number :629
fl. number :09.512
pubchem :149470
NIST Chemistry WebBook :3021969264
  
synonyms :
 citric acid triethyl ester
 ethyl citrate
2-hydroxy-1,2,3-propane tricarboxylic acid triethyl ester
 triethyl 2-hydroxy-1,2,3-propane tricarboxylate
 triethyl citrate
soluble in :
 water, 6.5 gm/100 ml water
 cellulose acetate
 cellulose acetate butyrate
 cellulose nitrate
 chlorinated rubber
 ethyl cellulose
insoluble in :
 water
stability :
 will not support fungous grouth in resins
(odor and/or flavor) blends with :
 solvent
(odor and/or flavor) used in :
 fixer
 solvents
natural occurrence in :
not found in nature



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