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2-propylheptyl Acrylate

2D structure
Flow Object IDfo-67203ca91550cc8f
TypeConsensus
prefLabel
Label Language
2-propylheptyl Acrylate en
Alt Labels
Label Language Provenance
2-Propenoic acid, 2-propylheptyl ester en —
CAS Numbers 149021-58-9
EC Numbers 604-669-5
Changes Applied26

Provenance

Field Value
Resolverhybrid_name_cas_v1
Seed SourceEF 3.1
Seed Flow094a3e83-3b9d-42d0-bc11-7f956ebbf108

Properties

Predicate Value
InChIKey RXBOCDZLKBPILN-UHFFFAOYSA-N
InChI InChI=1S/C13H24O2/c1-4-7-8-10-12(9-5-2)11-15-13(14)6-3/h6,12H,3-5,7-11H2,1-2H3
IUPAC name 2-propenoic acid 2-propylheptyl ester, 2-propylheptyl prop-2-enoate, acrylic acid 2-propylheptyl ester
Molecular formula C13H24O2
Molecular mass 212.333
Monoisotopic mass 212.17763
SMILES C=CC(=O)OCC(CCC)CCCCC, CCCCCC(CCC)COC(=O)C=C

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
8581c4e7… EF 3.1 kg Environmental → Air → Aircraft cruise height 4 2
b08a411f… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 2
a6bea37e… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 4 2
4d9e7754… EF 3.1 kg Environmental → Air → High stack, >150 meters 4 2
c23ba194… EF 3.1 kg Environmental → Air → Unknown 4 2
e6d8e595… EF 3.1 kg Environmental → Air → Unknown 4 2
5fec5a16… EF 3.1 kg Environmental → Ground → Agricultural 4 2
5bf0447a… EF 3.1 kg Environmental → Ground → Unknown 4 2
094a3e83… EF 3.1 kg Environmental → Water → Ocean 4 2
f98a1328… EF 3.1 kg Environmental → Water → Surface water 4 2
d4513da4… EF 3.1 kg Environmental → Water → Unknown 4 2
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
094a3e83… altLabel — [{"@value":"2-Propenoic acid, 2-propylheptyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:149021-58-9","https://commonchemistry.cas.org/detail?cas_rn=149021-58-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2-propylheptylacrylate||dimension=Environmental > media=Water > water_body=Ocean; cas=149021-58-9; added Common Chemistry CAS names as altLabel: 2-Propenoic acid, 2-propylheptyl ester; object_uuid=fo-67203ca91550cc8f
094a3e83… cas_match_labels — {"149021-58-9":"exactMatch"} group_key=2-propylheptylacrylate||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'149021-58-9': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-67203ca91550cc8f: {'149021-58-9': 'exactMatch'}
2a61a116… altLabel — [{"@value":"2-Propenoic acid, 2-propylheptyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:149021-58-9","https://commonchemistry.cas.org/detail?cas_rn=149021-58-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2-propylheptylacrylate||dimension=Environmental > media=Water > water_body=Ocean; cas=149021-58-9; added Common Chemistry CAS names as altLabel: 2-Propenoic acid, 2-propylheptyl ester; object_uuid=fo-67203ca91550cc8f
2a61a116… cas_match_labels — {"149021-58-9":"exactMatch"} group_key=2-propylheptylacrylate||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'149021-58-9': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-67203ca91550cc8f: {'149021-58-9': 'exactMatch'}
4d9e7754… altLabel — [{"@value":"2-Propenoic acid, 2-propylheptyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:149021-58-9","https://commonchemistry.cas.org/detail?cas_rn=149021-58-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2-propylheptylacrylate||dimension=Environmental > media=Water > water_body=Ocean; cas=149021-58-9; added Common Chemistry CAS names as altLabel: 2-Propenoic acid, 2-propylheptyl ester; object_uuid=fo-67203ca91550cc8f
4d9e7754… cas_match_labels — {"149021-58-9":"exactMatch"} group_key=2-propylheptylacrylate||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'149021-58-9': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-67203ca91550cc8f: {'149021-58-9': 'exactMatch'}
5bf0447a… altLabel — [{"@value":"2-Propenoic acid, 2-propylheptyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:149021-58-9","https://commonchemistry.cas.org/detail?cas_rn=149021-58-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2-propylheptylacrylate||dimension=Environmental > media=Water > water_body=Ocean; cas=149021-58-9; added Common Chemistry CAS names as altLabel: 2-Propenoic acid, 2-propylheptyl ester; object_uuid=fo-67203ca91550cc8f
5bf0447a… cas_match_labels — {"149021-58-9":"exactMatch"} group_key=2-propylheptylacrylate||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'149021-58-9': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-67203ca91550cc8f: {'149021-58-9': 'exactMatch'}
5fec5a16… altLabel — [{"@value":"2-Propenoic acid, 2-propylheptyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:149021-58-9","https://commonchemistry.cas.org/detail?cas_rn=149021-58-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2-propylheptylacrylate||dimension=Environmental > media=Water > water_body=Ocean; cas=149021-58-9; added Common Chemistry CAS names as altLabel: 2-Propenoic acid, 2-propylheptyl ester; object_uuid=fo-67203ca91550cc8f
5fec5a16… cas_match_labels — {"149021-58-9":"exactMatch"} group_key=2-propylheptylacrylate||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'149021-58-9': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-67203ca91550cc8f: {'149021-58-9': 'exactMatch'}
8581c4e7… altLabel — [{"@value":"2-Propenoic acid, 2-propylheptyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:149021-58-9","https://commonchemistry.cas.org/detail?cas_rn=149021-58-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2-propylheptylacrylate||dimension=Environmental > media=Water > water_body=Ocean; cas=149021-58-9; added Common Chemistry CAS names as altLabel: 2-Propenoic acid, 2-propylheptyl ester; object_uuid=fo-67203ca91550cc8f
8581c4e7… cas_match_labels — {"149021-58-9":"exactMatch"} group_key=2-propylheptylacrylate||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'149021-58-9': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-67203ca91550cc8f: {'149021-58-9': 'exactMatch'}
87f80580… altLabel — [{"@value":"2-Propenoic acid, 2-propylheptyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:149021-58-9","https://commonchemistry.cas.org/detail?cas_rn=149021-58-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2-propylheptylacrylate||dimension=Environmental > media=Water > water_body=Ocean; cas=149021-58-9; added Common Chemistry CAS names as altLabel: 2-Propenoic acid, 2-propylheptyl ester; object_uuid=fo-67203ca91550cc8f
87f80580… cas_match_labels — {"149021-58-9":"exactMatch"} group_key=2-propylheptylacrylate||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'149021-58-9': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-67203ca91550cc8f: {'149021-58-9': 'exactMatch'}
a6bea37e… altLabel — [{"@value":"2-Propenoic acid, 2-propylheptyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:149021-58-9","https://commonchemistry.cas.org/detail?cas_rn=149021-58-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2-propylheptylacrylate||dimension=Environmental > media=Water > water_body=Ocean; cas=149021-58-9; added Common Chemistry CAS names as altLabel: 2-Propenoic acid, 2-propylheptyl ester; object_uuid=fo-67203ca91550cc8f
a6bea37e… cas_match_labels — {"149021-58-9":"exactMatch"} group_key=2-propylheptylacrylate||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'149021-58-9': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-67203ca91550cc8f: {'149021-58-9': 'exactMatch'}
b08a411f… altLabel — [{"@value":"2-Propenoic acid, 2-propylheptyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:149021-58-9","https://commonchemistry.cas.org/detail?cas_rn=149021-58-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2-propylheptylacrylate||dimension=Environmental > media=Water > water_body=Ocean; cas=149021-58-9; added Common Chemistry CAS names as altLabel: 2-Propenoic acid, 2-propylheptyl ester; object_uuid=fo-67203ca91550cc8f
b08a411f… cas_match_labels — {"149021-58-9":"exactMatch"} group_key=2-propylheptylacrylate||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'149021-58-9': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-67203ca91550cc8f: {'149021-58-9': 'exactMatch'}
c23ba194… altLabel — [{"@value":"2-Propenoic acid, 2-propylheptyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:149021-58-9","https://commonchemistry.cas.org/detail?cas_rn=149021-58-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2-propylheptylacrylate||dimension=Environmental > media=Water > water_body=Ocean; cas=149021-58-9; added Common Chemistry CAS names as altLabel: 2-Propenoic acid, 2-propylheptyl ester; object_uuid=fo-67203ca91550cc8f
c23ba194… cas_match_labels — {"149021-58-9":"exactMatch"} group_key=2-propylheptylacrylate||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'149021-58-9': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-67203ca91550cc8f: {'149021-58-9': 'exactMatch'}
d4513da4… altLabel — [{"@value":"2-Propenoic acid, 2-propylheptyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:149021-58-9","https://commonchemistry.cas.org/detail?cas_rn=149021-58-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2-propylheptylacrylate||dimension=Environmental > media=Water > water_body=Ocean; cas=149021-58-9; added Common Chemistry CAS names as altLabel: 2-Propenoic acid, 2-propylheptyl ester; object_uuid=fo-67203ca91550cc8f
d4513da4… cas_match_labels — {"149021-58-9":"exactMatch"} group_key=2-propylheptylacrylate||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'149021-58-9': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-67203ca91550cc8f: {'149021-58-9': 'exactMatch'}
e6d8e595… altLabel — [{"@value":"2-Propenoic acid, 2-propylheptyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:149021-58-9","https://commonchemistry.cas.org/detail?cas_rn=149021-58-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2-propylheptylacrylate||dimension=Environmental > media=Water > water_body=Ocean; cas=149021-58-9; added Common Chemistry CAS names as altLabel: 2-Propenoic acid, 2-propylheptyl ester; object_uuid=fo-67203ca91550cc8f
e6d8e595… cas_match_labels — {"149021-58-9":"exactMatch"} group_key=2-propylheptylacrylate||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'149021-58-9': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-67203ca91550cc8f: {'149021-58-9': 'exactMatch'}
f98a1328… altLabel — [{"@value":"2-Propenoic acid, 2-propylheptyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:149021-58-9","https://commonchemistry.cas.org/detail?cas_rn=149021-58-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2-propylheptylacrylate||dimension=Environmental > media=Water > water_body=Ocean; cas=149021-58-9; added Common Chemistry CAS names as altLabel: 2-Propenoic acid, 2-propylheptyl ester; object_uuid=fo-67203ca91550cc8f
f98a1328… cas_match_labels — {"149021-58-9":"exactMatch"} group_key=2-propylheptylacrylate||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'149021-58-9': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-67203ca91550cc8f: {'149021-58-9': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-67203ca91550cc8f",
  "prefLabel": [
    {
      "@value": "2-propylheptyl Acrylate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "prefLabel"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Propenoic acid, 2-propylheptyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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  ],
  "properties": {
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      "@value": [
        "C13H24O2"
      ],
      "rdfs:label": "Molecular formula",
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    "https://w3id.org/chemrof/inchi2d_key_string": {
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      "@value": [
        "RXBOCDZLKBPILN-UHFFFAOYSA-N"
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    "https://w3id.org/chemrof/smiles_string": {
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      "@value": [
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      "rdfs:label": "SMILES",
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    "https://w3id.org/chemrof/inchi2d_string": {
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
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        "2-propylheptyl prop-2-enoate",
        "acrylic acid 2-propylheptyl ester"
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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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      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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  },
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  "created_from": {
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