Consensus flow list

Identity

Type
Neutral molecule
CAS
77-94-1
EC
201-071-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Tributyl Citrate

Alternative labels

15

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string ZFOZVQLOBQUTQQ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string 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
IUPAC name chemrof:IUPAC_name Tributyl Citrate
Molecular formula chemrof:molecular_formula C18H32O7
Molecular mass chemrof:molecular_mass 360.447
Monoisotopic mass chemrof:monoisotopic_mass 360.2148, 360.214803
SMILES string chemrof:smiles_string CCCCOC(=O)CC(O)(CC(=O)OCCCC)C(=O)OCCCC

Known URLs

12

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=77-94-1 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:176825 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.000.975 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.6261.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5051442 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8491 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2107619 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/827D5B1B6S enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.216A enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6507 enrich_references.pubchem_compound
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1314417 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q1954892 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
105eee35-77b1-49d5-9860-2722f4b468fe Environmental → Air → Aircraft cruise height EF 3.1 kg 2
d18b9c39-d867-4a3c-beeb-2de3a77c6ecb Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
4acc91ca-3fcd-4376-ac96-3031b790c212 Environmental → Air → Indoor EF 3.1 kg 2
5022b84f-9af8-4376-8212-856068c78d44 Environmental → Air → Long-term EF 3.1 kg 0
a5566cac-6b3f-4cab-8607-2e5f00771091 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
bcd79825-d716-4ab1-8049-022c75fd26bf Environmental → Air → Unknown EF 3.1 kg 2
fe3df2aa-046c-4e4e-aac1-c73189cc4e4a Environmental → Ground → Agricultural EF 3.1 kg 2
31f735a9-0f8d-41dc-8258-e65e3f1c942d Environmental → Ground → Non-agricultural EF 3.1 kg 2
94cad1a4-e731-4b98-be16-d1d2d151fd8f Environmental → Ground → Unknown EF 3.1 kg 2
7dfff38d-1f67-45f3-b79c-859ec6ad03e2 Environmental → Water → Long-term EF 3.1 kg 0
dce70eed-0a34-4c1c-b28a-7d2e4122a339 Environmental → Water → Ocean EF 3.1 kg 2
d673a662-b4b3-46b7-bfc5-236a42c70c2c Environmental → Water → Surface water EF 3.1 kg 2
cafc8be6-751a-4c4d-83b7-d19280a4f97d Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-067f199991d288e4",
  "prefLabel": [
    {
      "@value": "Tributyl Citrate",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1,2,3-tributyl ester",
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    },
    {
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    },
    {
      "@value": "2-Hydroxy-1,2,3-propanetricarboxylic acid tributyl ester",
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      "provenance": {
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      }
    },
    {
      "@value": "Butyl citrate",
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    },
    {
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    },
    {
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    },
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