Consensus flow list

Identity

Type
Neutral molecule
CAS
109-61-5
EC
203-687-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Propyl Chlorocarbonate

Alternative labels

7

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string QQKDTTWZXHEGAQ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C4H7ClO2/c1-2-3-7-4(5)6/h2-3H2,1H3
IUPAC name chemrof:IUPAC_name Propyl Chlorocarbonate
Molecular formula chemrof:molecular_formula C4H7ClO2
Molecular mass chemrof:molecular_mass 122.551
Monoisotopic mass chemrof:monoisotopic_mass 122.013457
SMILES string chemrof:smiles_string CCCOC(=O)Cl

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=109-61-5 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.353 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1595 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3042342 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/A5Y2T003JU enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0256838 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J34.719A enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7998 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2740 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27273666 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
1933b9fe-7cb6-4a3c-be04-4a744e718bd4 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
7cb8537d-790a-4f22-8f02-e10c3a210f57 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
12eaddcb-93d0-4901-85b8-4f8ab3467e07 Environmental → Air → Indoor EF 3.1 kg 2
9003e3e6-b7a0-452b-82d2-8ee57f3a5578 Environmental → Air → Long-term EF 3.1 kg 0
2c2e9834-ee13-4e91-bfe9-ad043828c75b Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
15748fa9-549b-4a41-8ed4-cb3562dc4139 Environmental → Air → Unknown EF 3.1 kg 2
d4eb56a3-8044-48a1-9473-1b4c4e358549 Environmental → Ground → Agricultural EF 3.1 kg 2
259ba720-b143-410b-bc7a-da6b9ffc0422 Environmental → Ground → Non-agricultural EF 3.1 kg 2
c5cd4ee6-cece-46ab-be61-216bed05ae6c Environmental → Ground → Unknown EF 3.1 kg 2
5f78abab-05c3-411e-ba16-0798ba3216a2 Environmental → Water → Long-term EF 3.1 kg 0
939c99e2-a145-4029-9b29-0b26a24f7c9a Environmental → Water → Ocean EF 3.1 kg 2
e706e83a-dee3-46ec-8860-a410c82c12b7 Environmental → Water → Surface water EF 3.1 kg 2
12a650c7-1dd7-46d5-b423-bff19571c6e8 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-7bd582bdcb15abeb",
  "prefLabel": [
    {
      "@value": "Propyl Chlorocarbonate",
      "@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": "Carbonochloridic acid, propyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:109-61-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=109-61-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Chloroformic acid n-propyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:109-61-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=109-61-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Chloroformic acid propyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:109-61-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=109-61-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Formic acid, chloro-, propyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=109-61-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "n-Propyl chloroformate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=109-61-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Propyl carbonochloridate",
      "@language": "en",
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      "provenance": {
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        ],
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      }
    },
    {
      "@value": "Propyl chloroformate",
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  ],
  "properties": {
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        "C4H7ClO2"
      ],
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        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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      ],
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    },
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      "rdfs:label": "InChI",
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      ],
      "attested_by": {
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      "@value": [
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      ],
      "provenance": {
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        "prov:hadPrimarySource": [
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      "attested_by": {
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
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      ],
      "provenance": [
        {
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          ]
        },
        {
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          "prov:hadPrimarySource": [
            "CCCOC(=O)Cl"
          ]
        }
      ],
      "attested_by": {
        "122.551": [
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        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
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      ],
      "provenance": [
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      "attested_by": {
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    }
  },
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  "created_from": {
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    "semantic_typing": {
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  "classifications": {
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  "@type": [
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}

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