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Reference substances

Reference substances

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General information

Inventory

EC number:
201-070-7
EC name:
Triethyl citrate
CAS number:
77-93-0

No inventory information available

Reference substance information

IUPAC name:
1,2,3-triethyl 2-hydroxypropane-1,2,3-tricarboxylate
Synonyms
Names:
1,2,3-Propanetricarboxylic acid, 2-hydroxy-, triethyl ester
Citric acid triethyl ester
TEC
Triethyl 2-hydroxy-1,2,3-propanetricarboxylate
triethyl 2-hydroxypropane-1,2,3-tricarboxylate
Identifier:
CAS number
77-93-0
Identifier:
IUPAC name
1,2,3-Triethyl 2-hydroxypropane-1,2,3-tricarboxylate
Identifier:
IUPAC name
1,2,3-triethyl 2-hydroxypropane-1,2,3-tricarboxylate
Identifier:
other: InChl
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
Identifier:
other: SMILES notation
C(CC(OCC)=O)(CC(OCC)=O)(C(OCC)=O)O
Identifier:
other: InChl
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
Identifier:
other: SMILES notation
O=C(CC(O)(CC(=O)OCC)C(=O)OCC)OCC
triethyl citrate

CAS information

CAS number:
77-93-0

Molecular and structural information

Molecular formula:
C12H20O7
Molecular weight:
276.283
SMILES notation:
CCOC(=O)CC(O)(CC(=O)OCC)C(=O)OCC
InChl:
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
Structural formula:
Chemical structure