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Reference substances

Reference substances

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General information

Inventory

EC number:
201-071-2
EC name:
Tributyl citrate
CAS number:
77-94-1

No inventory information available

Reference substance information

IUPAC name:
1,2,3-tributyl 2-hydroxypropane-1,2,3-tricarboxylate
Synonyms
Names:
1,2,3-Propanetricarboxylic acid, 2-hydroxy-, tributyl ester
Identifier:
CAS number
77-94-1
Identifier:
IUPAC name
1,2,3-Propanetricarboxylic acid, 2-hydroxy-, tributyl ester
Identifier:
IUPAC name
1,2,3-tributyl 2-hydroxypropane-1,2,3-tricarboxylate
Identifier:
IUPAC name
Tributyl 2-hydroxypropane-1,2,3-tricarboxylate
Identifier:
other: SMILES notation
C(CC(OCCCC)=O)(CC(OCCCC)=O)(C(OCCCC)=O)O
Identifier:
other: SMILES notation
CCCCOC(=O)CC(CC(=O)OCCCC)(C(=O)OCCCC)O
Identifier:
other: InChl
InChI=1/C18H32O7/c1-4-7-10-23-15(19)13-18(22,17(21)25-12-9-6-3)14-16(20)24-11-8-5-2/h22H,4-14H2,1-3H3
Identifier:
other: InChl
InChI=1S/C18H32O7/c1-4-7-10-23-15(19)13-18(22,17(21)25-12-9-6-3)14-16(20)24-11-8-5-2/h22H,4-14H2,1-3H3
tributyl citrate

CAS information

CAS number:
77-94-1

Molecular and structural information

Molecular formula:
C18H32O7
Molecular weight:
360.442
SMILES notation:
CCCCOC(=O)CC(O)(CC(=O)OCCCC)C(=O)OCCCC
InChl:
InChI=1/C18H32O7/c1-4-7-10-23-15(19)13-18(22,17(21)25-12-9-6-3)14-16(20)24-11-8-5-2/h22H,4-14H2,1-3H3
Structural formula:
Chemical structure