Tris(2-ethylhexyl) 2-acetoxypropane-1,2,3-tricarboxylate

1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, 1,2,3-tris(2-ethylhexyl) ester
1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, tris(2-ethylhexyl) ester
Acetyl tri-2-ethylhexyl citrate
Acetyl tris(2-ethylhexyl) citrate
Citric acid, tris(2-ethylhexyl) ester, acetate
Citroflex A-8
Citrofol AHII
Tri(2-ethylhexyl) citrate acetate
Trioctyl acetylcitrate

Property	Value
InChI2D key string chemrof:inchi2d_key_string	FRDNONBEXWDRDM-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C32H58O8/c1-8-14-17-26(11-4)22-37-29(34)20-32(40-25(7)33,31(36)39-24-28(13-6)19-16-10-3)21-30(35)38-23-27(12-5)18-15-9-2/h26-28H,8-24H2,1-7H3
IUPAC name chemrof:IUPAC_name	2-acetoxypropane-1,2,3-tricarboxylic acid tris(2-ethylhexyl) ester, 2-acetyloxypropane-1,2,3-tricarboxylic acid tris(2-ethylhexyl) ester, tris(2-ethylhexyl) 2-acetoxypropane-1,2,3-tricarboxylate, tris(2-ethylhexyl) 2-acetyloxypropane-1,2,3-tricarboxylate
Molecular formula chemrof:molecular_formula	C32H58O8
Molecular mass chemrof:molecular_mass	570.808
Monoisotopic mass chemrof:monoisotopic_mass	570.413169
SMILES string chemrof:smiles_string	CCCCC(CC)COC(=O)CC(CC(=O)OCC(CC)CCCC)(C(=O)OCC(CC)CCCC)OC(=O)C

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=144-15-0	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.005.107	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID80883333	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/150CTM9A3J	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J193.642E	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/101632	enrich_references.pubchem_compound
rxnav.nlm.nih.gov	https://rxnav.nlm.nih.gov/id/rxnorm/1313223	enrich_references.pubchem_identifier_url
Wikidata	https://www.wikidata.org/wiki/Q27251669	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
db79d7ba-967f-455f-a79c-3d989c821d91	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
e80a888b-2a4c-4452-b2a3-e2bcf326b00e	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
0be4b339-c4e2-4851-a9ac-3c6a144229ea	Environmental → Air → Indoor	EF 3.1	kg	2
fc848554-9eb1-4620-98c5-0a85b0d715ee	Environmental → Air → Long-term	EF 3.1	kg	0
e8443433-6ad0-45be-b4ae-3f040b2781be	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
4e954fc5-d534-4638-9e6c-c681b590adca	Environmental → Air → Unknown	EF 3.1	kg	2
65beca61-5f9b-4a7a-8fda-00c9d4dd4288	Environmental → Ground → Agricultural	EF 3.1	kg	2
7b404638-936d-4731-8591-ec05b050e1c4	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
6d5b8031-a00d-4e19-8902-6c84bb1f82e1	Environmental → Ground → Unknown	EF 3.1	kg	2
069e2f7c-8eba-4728-a792-1bf87a8b5fa8	Environmental → Water → Long-term	EF 3.1	kg	0
b966b779-6437-47ba-b4df-4e7562b30f71	Environmental → Water → Ocean	EF 3.1	kg	2
49f3ebdd-b606-40a7-9b10-194d832caa96	Environmental → Water → Surface water	EF 3.1	kg	2
a6b504eb-1f66-46fb-9c96-910d9798ef7c	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (53 changes)

Open the changes page

Flow object JSON

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        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "205-617-0"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=205-617-0"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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Tris(2-ethylhexyl) 2-acetoxypropane-1,2,3-tricarboxylate

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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