Consensus flow list

Identity

Type
Neutral molecule
CAS
444811-29-4
EC
468-890-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Diethylhexyl Syringylidenemalonate

Alternative labels

3

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string NSBAXYINVVKQQI-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C28H44O7/c1-7-11-13-20(9-3)18-34-27(30)23(28(31)35-19-21(10-4)14-12-8-2)15-22-16-24(32-5)26(29)25(17-22)33-6/h15-17,20-21,29H,7-14,18-19H2,1-6H3
IUPAC name chemrof:IUPAC_name Propanedioic acid, 2-[(4-hydroxy-3,5-dimethoxyphenyl)methylene]-, 1,3-bis(2-ethylhexyl) ester
Molecular formula chemrof:molecular_formula C28H44O7
Molecular mass chemrof:molecular_mass 492.653
Monoisotopic mass chemrof:monoisotopic_mass 492.308704
SMILES string chemrof:smiles_string CCCCC(CC)COC(=O)C(=Cc1cc(OC)c(O)c(OC)c1)C(=O)OCC(CC)CCCC

Known URLs

9

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=444811-29-4 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.104.890 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.112.212 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID301021563 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/3V5U97P248 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.409.578I enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/10163591 enrich_references.pubchem_compound
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1368195 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27258070 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
208b1a31-6dfc-4066-bf75-8a65dd843675 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
3ada3332-1161-4447-bc6b-d0c151364671 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
a8793a52-5aef-4474-b7df-2cf78e8d88e7 Environmental → Air → Indoor EF 3.1 kg 4
35f55b18-3282-4d85-acc2-26b7b30d43a6 Environmental → Air → Long-term EF 3.1 kg 0
7fcde59a-bb98-4be9-a706-34254466f3a4 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
f38d31b3-de58-4231-a5f1-9d8f5dcafc2a Environmental → Air → Unknown EF 3.1 kg 4
4124add3-4214-4fc5-83a4-14f84542a60b Environmental → Ground → Agricultural EF 3.1 kg 4
1d8658cd-7b75-4616-bd69-d05a22adc086 Environmental → Ground → Non-agricultural EF 3.1 kg 4
f6405780-41fc-4b6c-9aee-7ea2e3c01c99 Environmental → Ground → Unknown EF 3.1 kg 4
ef3cdef1-1104-4190-9d3b-e84645424b2e Environmental → Water → Long-term EF 3.1 kg 0
24992db9-e5ca-4e80-9108-508e0857998f Environmental → Water → Ocean EF 3.1 kg 4
e2952579-8028-4d56-8a92-de925f08023e Environmental → Water → Surface water EF 3.1 kg 4
c77f486f-89e6-43e2-9717-4003078dd5dc Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-f8978df2a2c049b6",
  "prefLabel": [
    {
      "@value": "Diethylhexyl Syringylidenemalonate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Oxynex ST",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
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          "EF 3.1",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Propanedioic acid, 2-[(4-hydroxy-3,5-dimethoxyphenyl)methylene]-, 1,3-bis(2-ethylhexyl) ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Propanedioic acid, [(4-hydroxy-3,5-dimethoxyphenyl)methylene]-, bis(2-ethylhexyl) ester",
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      }
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  ],
  "properties": {
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      "attested_by": {
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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}

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