Acetyl tributyl citrate

1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, 1,2,3-tributyl ester
1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, tributyl ester
2-Acetoxy-1,2,3-propanetricarboxylic acid tributyl ester
Acetyl butyl citrate
Acetyl tri-n-butyl citrate
Acetyl tris-n-butyl citrate
Acetylcitric acid tributyl ester
ADK Cizer PN 6810
ATBC
Blo-trol
Citric acid, tributyl ester, acetate
Citroflex 4A-S
Citroflex A
Citroflex A 4
Citrofol B 2
Citrofol BII
Estaflex ATC
Kanatol 3400AC
Monocizer ATBC
Morflex ATBC
Plasticizer 40T
Purolan ATBC
Sansocizer ATBC
Scandinol SP 22
SP-22 S
Tributyl 2-(acetyloxy)-1,2,3-propanetricarboxylic acid
Tributyl 2-acetoxy-1,2,3-propanetricarboxylate
Tributyl 2-acetoxypropane-1,2,3-tricarboxylate
Tributyl 2-acetyl citrate
tributyl 2-acetyloxypropane-1,2,3-tricarboxylate
Tributyl acetylcitrate
Tributyl citrate acetate
Tributyl O-acetylcitrate

Property	Value
Elemental charge chemrof:elemental_charge	0
InChI2D key string chemrof:inchi2d_key_string	QZCLKYGREBVARF-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C20H34O8/c1-5-8-11-25-17(22)14-20(28-16(4)21,19(24)27-13-10-7-3)15-18(23)26-12-9-6-2/h5-15H2,1-4H3
IUPAC name chemrof:IUPAC_name	2-acetoxypropane-1,2,3-tricarboxylic acid tributyl ester, 2-acetyloxypropane-1,2,3-tricarboxylic acid tributyl ester, tributyl 2-acetoxypropane-1,2,3-tricarboxylate, tributyl 2-acetyloxypropane-1,2,3-tricarboxylate
Molecular formula chemrof:molecular_formula	C20H34O8
Molecular mass chemrof:molecular_mass	402.484
Monoisotopic mass chemrof:monoisotopic_mass	402.225368, 402.22537
SMILES string chemrof:smiles_string	CCCCOC(=O)CC(CC(=O)OCCCC)(OC(C)=O)C(=O)OCCCC

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource	URL	Recorded by
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=77-90-7	enrich_references.chebi_xrefs
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:168067	enrich_references.chebi_id_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.000.971	enrich_references.pubchem_identifier_url
ChemSpider	https://www.chemspider.com/Chemical-Structure.6259.html	enrich_references.chebi_xrefs
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID2026446	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=3894	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1904556	enrich_references.pubchem_identifier_url
femaflavor.org	https://www.femaflavor.org/flavor-library/tributyl-acetylcitrate	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/0ZBX0N59RZ	enrich_references.pubchem_identifier_url
HMDB	https://hmdb.ca/metabolites/HMDB0034159	enrich_references.chebi_xrefs
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J47.372C	enrich_references.pubchem_identifier_url
metabolomicsworkbench.org	https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=46390	enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov	https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C78760	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/6505	enrich_references.pubchem_compound
rxnav.nlm.nih.gov	https://rxnav.nlm.nih.gov/id/rxnorm/1362881	enrich_references.pubchem_identifier_url
wikidata.org	https://www.wikidata.org/wiki/Q4673294	enrich_references.pubchem_identifier_url
Wikipedia	https://en.wikipedia.org/wiki/Acetyltributylcitrate	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
49acef1c-7800-4a92-b7f5-89369d173e62	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
c768f51e-50a5-4bc4-a84b-14c399a3ce89	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
9584b3f7-9460-47af-8e54-1a97b541ae49	Environmental → Air → Indoor	EF 3.1	kg	4
4c1c457c-f146-4667-9ef8-9721abab0ffe	Environmental → Air → Long-term	EF 3.1	kg	0
bf756033-6701-4b9b-b527-3b8585d9fc44	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
1ee78d82-58c5-4528-a555-695a2c99a735	Environmental → Air → Unknown	EF 3.1	kg	4
6b197935-e368-4201-9d57-566683f73d13	Environmental → Ground → Agricultural	EF 3.1	kg	4
75702722-28ae-4bbb-ae70-a972297a2a39	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
a263dcd3-b584-461e-b69e-4d85e0f8556f	Environmental → Ground → Unknown	EF 3.1	kg	4
bf003069-cc2a-4b90-9605-fc2928b6732b	Environmental → Water → Long-term	EF 3.1	kg	0
b6a14410-68df-4844-a997-d60db0bd4aa2	Environmental → Water → Ocean	EF 3.1	kg	4
307c0198-cea0-4bf0-805c-1b530a233fc5	Environmental → Water → Surface water	EF 3.1	kg	4
2aabacaa-718a-4f45-9e56-6618fb5a8479	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (57 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-5feae2d3e8347b04",
  "prefLabel": [
    {
      "@value": "Acetyl tributyl citrate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
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  "altLabel": [
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      "@value": "1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, 1,2,3-tributyl ester",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, tributyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "2-Acetoxy-1,2,3-propanetricarboxylic acid tributyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Acetyl butyl citrate",
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      "provenance": {
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    {
      "@value": "Acetyl tri-n-butyl citrate",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Acetyl tris-n-butyl citrate",
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    },
    {
      "@value": "Acetylcitric acid tributyl ester",
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    },
    {
      "@value": "ADK Cizer PN 6810",
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    },
    {
      "@value": "ATBC",
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      }
    },
    {
      "@value": "Blo-trol",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "Citric acid, tributyl ester, acetate",
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    },
    {
      "@value": "Citroflex 4A-S",
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        ],
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      }
    },
    {
      "@value": "Citroflex A",
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    },
    {
      "@value": "Citroflex A 4",
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    },
    {
      "@value": "Citrofol B 2",
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    {
      "@value": "Citrofol BII",
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    },
    {
      "@value": "Estaflex ATC",
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        ],
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      }
    },
    {
      "@value": "Kanatol 3400AC",
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    },
    {
      "@value": "Monocizer ATBC",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "Morflex ATBC",
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          "https://commonchemistry.cas.org/detail?cas_rn=77-90-7"
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    },
    {
      "@value": "Plasticizer 40T",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Purolan ATBC",
      "@language": "en",
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      "provenance": {
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      "@value": "Sansocizer ATBC",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "Scandinol SP 22",
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      "provenance": {
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    },
    {
      "@value": "SP-22 S",
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        ],
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      }
    },
    {
      "@value": "Tributyl 2-(acetyloxy)-1,2,3-propanetricarboxylic acid",
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      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=77-90-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tributyl 2-acetoxy-1,2,3-propanetricarboxylate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=77-90-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tributyl 2-acetoxypropane-1,2,3-tricarboxylate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "original name retained as altLabel"
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    },
    {
      "@value": "Tributyl 2-acetyl citrate",
      "@language": "en",
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      "provenance": {
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    },
    {
      "@value": "tributyl 2-acetyloxypropane-1,2,3-tricarboxylate",
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      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "Tributyl acetylcitrate",
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    },
    {
      "@value": "Tributyl citrate acetate",
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    },
    {
      "@value": "Tributyl O-acetylcitrate",
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  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C20H34O8"
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      "attested_by": {
        "C20H34O8": [
          "enrich_references.chebi_semantic",
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Acetyl tributyl citrate

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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