(Q72510638)

English

Triethyl 1,1,2-ethanetricarboxylate

chemical compound

Ethane-1,1,2-tricarboxylic acid triethyl ester

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Statements

instance of

type of chemical entity

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subclass of

chemical compound

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mass

246.110338296 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₁H₁₈O₆

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canonical SMILES

CCOC(=O)CC(C(=O)OCC)C(=O)OCC

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found in taxon

tomato

1 reference

stated in

Relationships between the volatile compounds evaluated by solid phase microextraction and the thermal treatment of tomato juice: optimization of the blanching parameters

Identifiers

InChI

InChI=1S/C11H18O6/c1-4-15-9(12)7-8(10(13)16-5-2)11(14)17-6-3/h8H,4-7H2,1-3H3

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InChIKey

TVWZLLYAJDSSCJ-UHFFFAOYSA-N

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CAS Registry Number

7459-46-3

1 reference

InChIKey

TVWZLLYAJDSSCJ-UHFFFAOYSA-N

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=7459-46-3

PubChem CID

81961

1 reference

matched by identifier from

InChIKey

TVWZLLYAJDSSCJ-UHFFFAOYSA-N

SureChEMBL ID

SCHEMBL430204

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based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

TVWZLLYAJDSSCJ-UHFFFAOYSA-N

1 reference

NMRShiftDB structure ID

30100595

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matched by identifier from

InChIKey

TVWZLLYAJDSSCJ-UHFFFAOYSA-N

0 references

1 reference

matched by identifier from

InChIKey

TVWZLLYAJDSSCJ-UHFFFAOYSA-N

DSSTOX compound identifier

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231-235-9

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ECHA Substance Infocard ID

100.028.396

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stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.028.396

retrieved

29 December 2019

title

Triethyl ethane-1,1,2-tricarboxylate (English)

quotation

CAS no.: 7459-46-3 (English)

KNApSAcK ID

C00062869

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

TVWZLLYAJDSSCJ-UHFFFAOYSA-N

UNII

K6LNB6UH4U

1 reference

matched by identifier from

InChIKey

TVWZLLYAJDSSCJ-UHFFFAOYSA-N

(Q72510638)

Triethyl 1,1,2-ethanetricarboxylate

Statements

Identifiers

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