Brightway Flows 1.0
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Rhodiasolv Iris

fo-e64b3d3a0a13047c

Identity

Type
Neutral molecule
CAS
14035-94-0
EC
486-070-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Rhodiasolv Iris

Alternative labels

11

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string ZWKKRUNHAVNSFW-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H14O4/c1-6(8(10)12-3)4-5-7(9)11-2/h6H,4-5H2,1-3H3
IUPAC name chemrof:IUPAC_name 1,5-Dimethyl 2-methylpentanedioate
Molecular formula chemrof:molecular_formula C8H14O4
Molecular mass chemrof:molecular_mass 174.196
Monoisotopic mass chemrof:monoisotopic_mass 174.089209
SMILES string chemrof:smiles_string COC(=O)CCC(C)C(=O)OC

Known URLs

8

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=14035-94-0 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.124.150 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID20884546 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/728OFW5M9G enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0244293 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J26.293E enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/118086 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q27266048 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
d533d0f9-1627-4384-abe2-58bfd8efc744 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
7b7e457c-6ce9-4cad-8731-75492792b5af Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
d6a2221a-a76a-4d0a-bf61-5c40413efba5 Environmental → Air → Indoor EF 3.1 kg 4
f11e2241-544b-4ac8-91bd-1d73ad07016f Environmental → Air → Long-term EF 3.1 kg 0
f41f152b-88e3-47ae-a45a-5bb860045639 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
5d6016dd-a111-4bd8-97b6-e662dd0f9080 Environmental → Air → Unknown EF 3.1 kg 4
d805b7da-a265-4a74-8afa-201dadaa814c Environmental → Ground → Agricultural EF 3.1 kg 4
f6076cd8-2b88-469e-9a06-ed4e4eaf924a Environmental → Ground → Non-agricultural EF 3.1 kg 4
cd5ed23e-35a2-41ec-8444-0e7d8c43341b Environmental → Ground → Unknown EF 3.1 kg 4
5b032d4e-6879-4acd-bf4c-347ea93e984a Environmental → Water → Long-term EF 3.1 kg 0
ac154298-929e-4208-bc59-bc21c5e8ff1b Environmental → Water → Ocean EF 3.1 kg 4
198c0b19-7beb-40fa-a2dc-57c07653b2e1 Environmental → Water → Surface water EF 3.1 kg 4
0015d5c9-fa03-48eb-a20b-2f6b5afcb564 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-e64b3d3a0a13047c",
  "prefLabel": [
    {
      "@value": "Rhodiasolv Iris",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,5-Dimethyl 2-methylpentanedioate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:14035-94-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=14035-94-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Methylpentanedioic acid dimethyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:14035-94-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=14035-94-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dimethyl 2-methylglutarate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:14035-94-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=14035-94-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dimethyl 2-methylpentanedioate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:14035-94-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=14035-94-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dimethyl α-dl-methylglutarate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=14035-94-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dimethyl α-methylglutarate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Glutaric acid, 2-methyl-, dimethyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "EF 3.1",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Pentanedioic acid, 2-methyl-, 1,5-dimethyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=14035-94-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Pentanedioic acid, 2-methyl-, dimethyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Rhodiasolv Infinity",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "α-Methylglutaric acid dimethyl ester",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
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  ],
  "properties": {
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      },
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    "https://w3id.org/chemrof/inchi2d_key_string": {
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    },
    "https://w3id.org/chemrof/smiles_string": {
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
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    },
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    "https://w3id.org/chemrof/molecular_mass": {
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
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  ],
  "created_from": {
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    "semantic_typing": {
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  "classifications": {
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  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
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  ]
}

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