Consensus flow list

Identity

Type
Neutral molecule
CAS
83-59-0
EC
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Propyl Isome

Alternative labels

11

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string UEKQGZQLUMSLNW-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C20H26O6/c1-4-6-23-19(21)17-12(3)8-13-9-15-16(26-11-25-15)10-14(13)18(17)20(22)24-7-5-2/h9-10,12,17-18H,4-8,11H2,1-3H3
IUPAC name chemrof:IUPAC_name 5,6-Bis(propoxycarbonyl)-7-methyl-5,6,7,8-tetrahydronaphtho(2,3-d)-1,3-dioxole
Molecular formula chemrof:molecular_formula C20H26O6
Molecular mass chemrof:molecular_mass 362.422
Monoisotopic mass chemrof:monoisotopic_mass 362.172939, 362.17294
SMILES string chemrof:smiles_string CCCOC(=O)C1c2cc3c(cc2CC(C)C1C(=O)OCCC)OCO3

Known URLs

10

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=83-59-0 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82265 enrich_references.chebi_id_link
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0021202 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8402 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/3FLF8RP6LX enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.637J enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C19145 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C19145 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6750 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27155849 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
3c7cf8a9-7ee1-4d04-b4d9-b5337ccccbd9 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
1f983cd4-c2fa-47fb-a277-15bf53da41d1 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
1f89a874-c185-4665-8a16-5d10bf769717 Environmental → Air → Indoor EF 3.1 kg 2
2ae5d229-f47e-488a-a12f-f4683b6ba1c5 Environmental → Air → Long-term EF 3.1 kg 0
2f43a09c-64de-4214-b96f-977acdb402d6 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
7411396a-395e-44be-8760-7c379dc15e0a Environmental → Air → Unknown EF 3.1 kg 2
cc18e0d4-9c06-438b-82ac-215eb51d666b Environmental → Ground → Agricultural EF 3.1 kg 2
c4614ff8-68ea-4641-8f26-b276d30a65db Environmental → Ground → Non-agricultural EF 3.1 kg 2
6d2cfcd6-65d7-42ff-81e9-6f1f39d9852b Environmental → Ground → Unknown EF 3.1 kg 2
8a3dc9dd-ecc0-480d-bcdd-986033b1bd4f Environmental → Water → Long-term EF 3.1 kg 0
6830389d-f38c-43c7-bf56-396e62ca7fa6 Environmental → Water → Ocean EF 3.1 kg 2
031c8937-779d-458b-b908-fcff1387d205 Environmental → Water → Surface water EF 3.1 kg 2
ee5b4306-a72b-41be-a151-7985e65aebd2 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-5f864d283068698a",
  "prefLabel": [
    {
      "@value": "Propyl Isome",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,2,3,4-Tetrahydro-3-methyl-6,7-methylenebisoxynaphthalene-1,2-dicarboxylic acid dipropyl",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "5,6-Bis(propoxycarbonyl)-7-methyl-5,6,7,8-tetrahydro[2,3-d]naphtho-1,3-dioxole",
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      }
    },
    {
      "@value": "Di-n-propyl 3-methyl-6,7-methylenedioxy-1,2,3,4-tetrahydronaphthalene-1,2-dicarboxylate",
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    },
    {
      "@value": "Dipropyl 5,6,7,8-tetrahydro-7-methyl-naphtho(2,3)-1,3-dioxole-5,6-dicarboxylate",
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    },
    {
      "@value": "Dipropyl 6,7-methylenedioxy-3-methyl-1,2,3,4-tetrahydronaphthalene-1,2-dicarboxylate",
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    },
    {
      "@value": "n-Propyl isome",
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    {
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    },
    {
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    },
    {
      "@value": "Zengxiaozhi",
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