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2-(propan-2-yloxy)ethyl Acetate

fo-c1aa3b65bf65455f

Identity

Type
Neutral molecule
CAS
19234-20-9
EC
242-901-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2-(propan-2-yloxy)ethyl Acetate

Alternative labels

3

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string HCDJVEYJSSTYSW-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H14O3/c1-6(2)9-4-5-10-7(3)8/h6H,4-5H2,1-3H3
IUPAC name chemrof:IUPAC_name 2-(propan-2-yloxy)ethyl Acetate
Molecular formula chemrof:molecular_formula C7H14O3
Molecular mass chemrof:molecular_mass 146.186
Monoisotopic mass chemrof:monoisotopic_mass 146.094294
SMILES string chemrof:smiles_string CC(=O)OCCOC(C)C

Known URLs

6

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=19234-20-9 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.038.986 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID50864876 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J242.746J enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/87974 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q82854567 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
04c1cd69-fd39-40ad-b41f-6396cd10bb83 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
6130cbf1-8948-422d-a806-0a2f9c1df05a Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
8965bf5b-966a-4689-8db2-a77aefc6b1eb Environmental → Air → Indoor EF 3.1 kg 4
a70ee66c-c8e2-4f27-acef-5948c9509b8c Environmental → Air → Long-term EF 3.1 kg 0
12fb2207-436f-4a82-854a-84595624294f Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
c256c543-74d8-4fa6-bd26-fa486c30af83 Environmental → Air → Unknown EF 3.1 kg 4
2329d4e8-b801-4022-95ed-799076198aaa Environmental → Ground → Agricultural EF 3.1 kg 4
10fffca3-e311-4fed-96a3-d02e0f7ac74c Environmental → Ground → Non-agricultural EF 3.1 kg 4
1b381ce4-3f1f-41cb-b424-83cae88eaefe Environmental → Ground → Unknown EF 3.1 kg 4
831fe382-0645-46d8-9847-baeb1b926955 Environmental → Water → Long-term EF 3.1 kg 0
21011183-9d77-4088-be9f-f5cd73ead871 Environmental → Water → Ocean EF 3.1 kg 4
c87e28e2-b112-49b4-889e-c468c48d65dd Environmental → Water → Surface water EF 3.1 kg 4
3759c2db-d094-475e-8569-b7089dc1db4c 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-c1aa3b65bf65455f",
  "prefLabel": [
    {
      "@value": "2-(propan-2-yloxy)ethyl Acetate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Ethanol, 2-(1-methylethoxy)-, 1-acetate",
      "@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=19234-20-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ethanol, 2-(1-methylethoxy)-, acetate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=19234-20-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ethanol, 2-isopropoxy-, acetate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=19234-20-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "@value": [
        "C7H14O3"
      ],
      "attested_by": {
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        ]
      },
      "rdfs:label": "Molecular formula",
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      "rdfs:label": "SMILES",
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      "provenance": [
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      "rdfs:label": "InChI",
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        },
        {
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          "prov:hadPrimarySource": [
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      "attested_by": {
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      "rdfs:label": "IUPAC name",
      "@value": [
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      ],
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    },
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      "provenance": [
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      "attested_by": {
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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": {
        "146.094294": [
          "rdkit_post_consensus",
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        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J242.746J",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        "prov:wasDerivedFrom": "pubchem.identifiers[19234-20-9]"
      }
    },
    {
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        "prov:wasDerivedFrom": "pubchem.by_cas[19234-20-9]"
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    },
    {
      "@id": "https://www.wikidata.org/wiki/Q82854567",
      "provenance": {
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        "prov:wasDerivedFrom": "pubchem.identifiers[19234-20-9]"
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    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "04c1cd69-fd39-40ad-b41f-6396cd10bb83",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
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      "@value": [
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      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=19234-20-9"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
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        }
      ],
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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