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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

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Reference substances

Reference substances

Currently viewing:
IUPAC name:
tributyl citrate

Inventory

EC number:
201-071-2
EC name:
Tributyl citrate
CAS number:
77-94-1
CAS number:
77-94-1
Synonyms
Names:
1,2,3-Propanetricarboxylic acid, 2-hydroxy-, tributyl ester
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:
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
Identifier:
other: InChl
ZFOZVQLOBQUTQQ-UHFFFAOYSA-N
tributyl citrate

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

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