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Neodecanoyl Chloride

Flow Object IDfo-9bfa55888f26721d
TypeConsensus
prefLabel
Label Language
Neodecanoyl Chloride en
Alt Labels
Label Language Provenance
Neodecanoic chloride en —
CAS Numbers40292-82-8
EC Numbers254-875-0
Changes Applied26

Properties

Predicate Value
InChIKey KICJYSRARHIXHM-UHFFFAOYSA-N, PMXFJUYOBVSEGY-UHFFFAOYSA-L, SWUYOWDLXBZLCA-UHFFFAOYSA-N, UQPRTNCCEAZJDE-UHFFFAOYSA-N, WOFMVUZGDHWHLJ-UHFFFAOYSA-N
InChI InChI=1S/Au.Na.H2O3S2/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2, InChI=1S/C10H19ClO/c1-10(2,3)8-6-4-5-7-9(11)12/h4-8H2,1-3H3, InChI=1S/C10H19ClO/c1-4-5-6-7-8-10(2,3)9(11)12/h4-8H2,1-3H3, InChI=1S/C10H19ClO/c1-4-7-10(6-3,8-5-2)9(11)12/h4-8H2,1-3H3, InChI=1S/C10H19ClO/c1-5-10(3,4)7-6-8(2)9(11)12/h8H,5-7H2,1-4H3
IUPAC name 2,2-dimethylcaprylyl chloride, 2,2-dimethyloctanoyl chloride, 2,5,5-trimethylenanthyl chloride, 2,5,5-trimethylheptanoyl chloride, 2-ethyl-2-propyl-pentanoyl chloride, 2-ethyl-2-propyl-valeryl chloride, 2-ethyl-2-propylpentanoyl chloride, 7,7-dimethylcaprylyl chloride, 7,7-dimethyloctanoyl chloride, sodium;bis(oxidanidyl)-oxidanylidene-sulfanylidene-lambda6-sulfane;gold(1+), sodium;dioxido-oxo-sulfanylidene-lambda6-sulfane;gold(1+), sodium;dioxido-oxo-thioxo-lambda6-sulfane;gold(1+), sodium;gold(1+);keto-dioxido-thioxo-lambda6-sulfane
Molecular formula AuNaO3S2, C10H19ClO
SMILES CC(C)(C)CCCCCC(=O)Cl, CCC(C)(C)CCC(C)C(=O)Cl, CCCC(CC)(CCC)C(=O)Cl, CCCCCCC(C)(C)C(=O)Cl, [O-]S(=O)(=S)[O-].[Na+].[Au+]

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
1d20eea5… EF 3.1 kg Environmental → Air → Aircraft cruise height 2 2
2b73084d… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 2
fe3da466… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 2 2
c9b2fd5d… EF 3.1 kg Environmental → Air → High stack, >150 meters 2 2
2ef0cf57… EF 3.1 kg Environmental → Air → Unknown 2 2
e5ccf119… EF 3.1 kg Environmental → Air → Unknown 2 2
f66c45ab… EF 3.1 kg Environmental → Ground → Agricultural 2 2
466fd853… EF 3.1 kg Environmental → Ground → Unknown 2 2
80da1aaf… EF 3.1 kg Environmental → Water → Ocean 2 2
38efbf07… EF 3.1 kg Environmental → Water → Surface water 2 2
54a630e8… EF 3.1 kg Environmental → Water → Unknown 2 2
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
1d20eea5… altLabel — [{"@value":"Neodecanoic chloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:40292-82-8","https://commonchemistry.cas.org/detail?cas_rn=40292-82-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=neodecanoylchloride||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=40292-82-8; added Common Chemistry CAS names as altLabel: Neodecanoic chloride; object_uuid=fo-9bfa55888f26721d
1d20eea5… cas_match_labels — {"40292-82-8":"exactMatch"} group_key=neodecanoylchloride||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'40292-82-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9bfa55888f26721d: {'40292-82-8': 'exactMatch'}
2b73084d… altLabel — [{"@value":"Neodecanoic chloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:40292-82-8","https://commonchemistry.cas.org/detail?cas_rn=40292-82-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=neodecanoylchloride||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=40292-82-8; added Common Chemistry CAS names as altLabel: Neodecanoic chloride; object_uuid=fo-9bfa55888f26721d
2b73084d… cas_match_labels — {"40292-82-8":"exactMatch"} group_key=neodecanoylchloride||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'40292-82-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9bfa55888f26721d: {'40292-82-8': 'exactMatch'}
2ef0cf57… altLabel — [{"@value":"Neodecanoic chloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:40292-82-8","https://commonchemistry.cas.org/detail?cas_rn=40292-82-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=neodecanoylchloride||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=40292-82-8; added Common Chemistry CAS names as altLabel: Neodecanoic chloride; object_uuid=fo-9bfa55888f26721d
2ef0cf57… cas_match_labels — {"40292-82-8":"exactMatch"} group_key=neodecanoylchloride||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'40292-82-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9bfa55888f26721d: {'40292-82-8': 'exactMatch'}
38efbf07… altLabel — [{"@value":"Neodecanoic chloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:40292-82-8","https://commonchemistry.cas.org/detail?cas_rn=40292-82-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=neodecanoylchloride||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=40292-82-8; added Common Chemistry CAS names as altLabel: Neodecanoic chloride; object_uuid=fo-9bfa55888f26721d
38efbf07… cas_match_labels — {"40292-82-8":"exactMatch"} group_key=neodecanoylchloride||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'40292-82-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9bfa55888f26721d: {'40292-82-8': 'exactMatch'}
466fd853… altLabel — [{"@value":"Neodecanoic chloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:40292-82-8","https://commonchemistry.cas.org/detail?cas_rn=40292-82-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=neodecanoylchloride||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=40292-82-8; added Common Chemistry CAS names as altLabel: Neodecanoic chloride; object_uuid=fo-9bfa55888f26721d
466fd853… cas_match_labels — {"40292-82-8":"exactMatch"} group_key=neodecanoylchloride||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'40292-82-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9bfa55888f26721d: {'40292-82-8': 'exactMatch'}
54a630e8… altLabel — [{"@value":"Neodecanoic chloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:40292-82-8","https://commonchemistry.cas.org/detail?cas_rn=40292-82-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=neodecanoylchloride||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=40292-82-8; added Common Chemistry CAS names as altLabel: Neodecanoic chloride; object_uuid=fo-9bfa55888f26721d
54a630e8… cas_match_labels — {"40292-82-8":"exactMatch"} group_key=neodecanoylchloride||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'40292-82-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9bfa55888f26721d: {'40292-82-8': 'exactMatch'}
80da1aaf… altLabel — [{"@value":"Neodecanoic chloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:40292-82-8","https://commonchemistry.cas.org/detail?cas_rn=40292-82-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=neodecanoylchloride||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=40292-82-8; added Common Chemistry CAS names as altLabel: Neodecanoic chloride; object_uuid=fo-9bfa55888f26721d
80da1aaf… cas_match_labels — {"40292-82-8":"exactMatch"} group_key=neodecanoylchloride||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'40292-82-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9bfa55888f26721d: {'40292-82-8': 'exactMatch'}
925e000c… altLabel — [{"@value":"Neodecanoic chloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:40292-82-8","https://commonchemistry.cas.org/detail?cas_rn=40292-82-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=neodecanoylchloride||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=40292-82-8; added Common Chemistry CAS names as altLabel: Neodecanoic chloride; object_uuid=fo-9bfa55888f26721d
925e000c… cas_match_labels — {"40292-82-8":"exactMatch"} group_key=neodecanoylchloride||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'40292-82-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9bfa55888f26721d: {'40292-82-8': 'exactMatch'}
c9b2fd5d… altLabel — [{"@value":"Neodecanoic chloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:40292-82-8","https://commonchemistry.cas.org/detail?cas_rn=40292-82-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=neodecanoylchloride||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=40292-82-8; added Common Chemistry CAS names as altLabel: Neodecanoic chloride; object_uuid=fo-9bfa55888f26721d
c9b2fd5d… cas_match_labels — {"40292-82-8":"exactMatch"} group_key=neodecanoylchloride||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'40292-82-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9bfa55888f26721d: {'40292-82-8': 'exactMatch'}
e5ccf119… altLabel — [{"@value":"Neodecanoic chloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:40292-82-8","https://commonchemistry.cas.org/detail?cas_rn=40292-82-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=neodecanoylchloride||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=40292-82-8; added Common Chemistry CAS names as altLabel: Neodecanoic chloride; object_uuid=fo-9bfa55888f26721d
e5ccf119… cas_match_labels — {"40292-82-8":"exactMatch"} group_key=neodecanoylchloride||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'40292-82-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9bfa55888f26721d: {'40292-82-8': 'exactMatch'}
e7d09dbf… altLabel — [{"@value":"Neodecanoic chloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:40292-82-8","https://commonchemistry.cas.org/detail?cas_rn=40292-82-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=neodecanoylchloride||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=40292-82-8; added Common Chemistry CAS names as altLabel: Neodecanoic chloride; object_uuid=fo-9bfa55888f26721d
e7d09dbf… cas_match_labels — {"40292-82-8":"exactMatch"} group_key=neodecanoylchloride||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'40292-82-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9bfa55888f26721d: {'40292-82-8': 'exactMatch'}
f66c45ab… altLabel — [{"@value":"Neodecanoic chloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:40292-82-8","https://commonchemistry.cas.org/detail?cas_rn=40292-82-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=neodecanoylchloride||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=40292-82-8; added Common Chemistry CAS names as altLabel: Neodecanoic chloride; object_uuid=fo-9bfa55888f26721d
f66c45ab… cas_match_labels — {"40292-82-8":"exactMatch"} group_key=neodecanoylchloride||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'40292-82-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9bfa55888f26721d: {'40292-82-8': 'exactMatch'}
fe3da466… altLabel — [{"@value":"Neodecanoic chloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:40292-82-8","https://commonchemistry.cas.org/detail?cas_rn=40292-82-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=neodecanoylchloride||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=40292-82-8; added Common Chemistry CAS names as altLabel: Neodecanoic chloride; object_uuid=fo-9bfa55888f26721d
fe3da466… cas_match_labels — {"40292-82-8":"exactMatch"} group_key=neodecanoylchloride||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'40292-82-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9bfa55888f26721d: {'40292-82-8': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-9bfa55888f26721d",
  "prefLabel": [
    {
      "@value": "Neodecanoyl Chloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "prefLabel"
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  ],
  "altLabel": [
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      "@language": "en",
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  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "AuNaO3S2",
        "C10H19ClO"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
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        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
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    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "KICJYSRARHIXHM-UHFFFAOYSA-N",
        "PMXFJUYOBVSEGY-UHFFFAOYSA-L",
        "SWUYOWDLXBZLCA-UHFFFAOYSA-N",
        "UQPRTNCCEAZJDE-UHFFFAOYSA-N",
        "WOFMVUZGDHWHLJ-UHFFFAOYSA-N"
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      "rdfs:label": "InChIKey",
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    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CC(C)(C)CCCCCC(=O)Cl",
        "CCC(C)(C)CCC(C)C(=O)Cl",
        "CCCC(CC)(CCC)C(=O)Cl",
        "CCCCCCC(C)(C)C(=O)Cl",
        "[O-]S(=O)(=S)[O-].[Na+].[Au+]"
      ],
      "rdfs:label": "SMILES",
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    "https://w3id.org/chemrof/inchi2d_string": {
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        "InChI=1S/C10H19ClO/c1-10(2,3)8-6-4-5-7-9(11)12/h4-8H2,1-3H3",
        "InChI=1S/C10H19ClO/c1-4-5-6-7-8-10(2,3)9(11)12/h4-8H2,1-3H3",
        "InChI=1S/C10H19ClO/c1-4-7-10(6-3,8-5-2)9(11)12/h4-8H2,1-3H3",
        "InChI=1S/C10H19ClO/c1-5-10(3,4)7-6-8(2)9(11)12/h8H,5-7H2,1-4H3"
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      "rdfs:label": "InChI",
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      "@value": [
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        "2,5,5-trimethylheptanoyl chloride",
        "2-ethyl-2-propyl-pentanoyl chloride",
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        "2-ethyl-2-propylpentanoyl chloride",
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