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2,4-dimethylheptane

Flow Object IDfo-049d8d9aa8e17c65
TypeConsensus
prefLabel
Label Language
2,4-dimethylheptane en
Alt Labels
Label Language Provenance
(±)-2,4-Dimethylheptane en —
Heptane, 2,4-dimethyl- en —
Definitions
Language Value Provenance
en An alkane that is heptane in which a hydrogen has been replaced by a methyl group at positions 2 and 4.
CAS Numbers2213-23-2
Changes Applied24

Properties

Predicate Value
Formal charge 0
InChIKey AUKVIBNBLXQNIZ-UHFFFAOYSA-N
InChI InChI=1S/C9H20/c1-5-6-9(4)7-8(2)3/h8-9H,5-7H2,1-4H3
IUPAC name 2,4-dimethylheptane
Molecular formula C9H20
Molecular mass 128.259
Monoisotopic mass 128.1565
SMILES CCCC(C)CC(C)C

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
1f312464… EF 3.1 kg Environmental → Air → Aircraft cruise height 0 2
fe0acd60… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 2
fe0acd60… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 0 2
fe0acd60… EF 3.1 kg Environmental → Air → High stack, >150 meters 0 2
4d9a8790… EF 3.1 kg Environmental → Air → Unknown 0 2
1f312462… EF 3.1 kg Environmental → Ground → Agricultural 0 2
1f312465… EF 3.1 kg Environmental → Ground → Unknown 0 2
1f312466… EF 3.1 kg Environmental → Water → Ocean 0 2
1f312463… EF 3.1 kg Environmental → Water → Surface water 0 2
1f312468… EF 3.1 kg Environmental → Water → Unknown 0 2
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
1f312462… altLabel — [{"@value":"(±)-2,4-Dimethylheptane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:2213-23-2","https://commonchemistry.cas.org/detail?cas_rn=2213-23-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Heptane, 2,4-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:2213-23-2","https://commonchemistry.cas.org/detail?cas_rn=2213-23-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,4-dimethylheptane||dimension=Environmental > media=Ground > geography=Agricultural; cas=2213-23-2; added Common Chemistry CAS names as altLabel: (±)-2,4-Dimethylheptane, Heptane, 2,4-dimethyl-; object_uuid=fo-049d8d9aa8e17c65
1f312462… cas_match_labels — {"2213-23-2":"exactMatch"} group_key=2,4-dimethylheptane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'pubchem']; cas_sources={'2213-23-2': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-049d8d9aa8e17c65: {'2213-23-2': 'exactMatch'}
1f312463… altLabel — [{"@value":"(±)-2,4-Dimethylheptane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:2213-23-2","https://commonchemistry.cas.org/detail?cas_rn=2213-23-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Heptane, 2,4-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:2213-23-2","https://commonchemistry.cas.org/detail?cas_rn=2213-23-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,4-dimethylheptane||dimension=Environmental > media=Ground > geography=Agricultural; cas=2213-23-2; added Common Chemistry CAS names as altLabel: (±)-2,4-Dimethylheptane, Heptane, 2,4-dimethyl-; object_uuid=fo-049d8d9aa8e17c65
1f312463… cas_match_labels — {"2213-23-2":"exactMatch"} group_key=2,4-dimethylheptane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'pubchem']; cas_sources={'2213-23-2': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-049d8d9aa8e17c65: {'2213-23-2': 'exactMatch'}
1f312464… altLabel — [{"@value":"(±)-2,4-Dimethylheptane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:2213-23-2","https://commonchemistry.cas.org/detail?cas_rn=2213-23-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Heptane, 2,4-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:2213-23-2","https://commonchemistry.cas.org/detail?cas_rn=2213-23-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,4-dimethylheptane||dimension=Environmental > media=Ground > geography=Agricultural; cas=2213-23-2; added Common Chemistry CAS names as altLabel: (±)-2,4-Dimethylheptane, Heptane, 2,4-dimethyl-; object_uuid=fo-049d8d9aa8e17c65
1f312464… cas_match_labels — {"2213-23-2":"exactMatch"} group_key=2,4-dimethylheptane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'pubchem']; cas_sources={'2213-23-2': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-049d8d9aa8e17c65: {'2213-23-2': 'exactMatch'}
1f312465… altLabel — [{"@value":"(±)-2,4-Dimethylheptane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:2213-23-2","https://commonchemistry.cas.org/detail?cas_rn=2213-23-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Heptane, 2,4-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:2213-23-2","https://commonchemistry.cas.org/detail?cas_rn=2213-23-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,4-dimethylheptane||dimension=Environmental > media=Ground > geography=Agricultural; cas=2213-23-2; added Common Chemistry CAS names as altLabel: (±)-2,4-Dimethylheptane, Heptane, 2,4-dimethyl-; object_uuid=fo-049d8d9aa8e17c65
1f312465… cas_match_labels — {"2213-23-2":"exactMatch"} group_key=2,4-dimethylheptane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'pubchem']; cas_sources={'2213-23-2': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-049d8d9aa8e17c65: {'2213-23-2': 'exactMatch'}
1f312466… altLabel — [{"@value":"(±)-2,4-Dimethylheptane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:2213-23-2","https://commonchemistry.cas.org/detail?cas_rn=2213-23-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Heptane, 2,4-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:2213-23-2","https://commonchemistry.cas.org/detail?cas_rn=2213-23-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,4-dimethylheptane||dimension=Environmental > media=Ground > geography=Agricultural; cas=2213-23-2; added Common Chemistry CAS names as altLabel: (±)-2,4-Dimethylheptane, Heptane, 2,4-dimethyl-; object_uuid=fo-049d8d9aa8e17c65
1f312466… cas_match_labels — {"2213-23-2":"exactMatch"} group_key=2,4-dimethylheptane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'pubchem']; cas_sources={'2213-23-2': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-049d8d9aa8e17c65: {'2213-23-2': 'exactMatch'}
1f312467… altLabel — [{"@value":"(±)-2,4-Dimethylheptane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:2213-23-2","https://commonchemistry.cas.org/detail?cas_rn=2213-23-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Heptane, 2,4-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:2213-23-2","https://commonchemistry.cas.org/detail?cas_rn=2213-23-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,4-dimethylheptane||dimension=Environmental > media=Ground > geography=Agricultural; cas=2213-23-2; added Common Chemistry CAS names as altLabel: (±)-2,4-Dimethylheptane, Heptane, 2,4-dimethyl-; object_uuid=fo-049d8d9aa8e17c65
1f312467… cas_match_labels — {"2213-23-2":"exactMatch"} group_key=2,4-dimethylheptane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'pubchem']; cas_sources={'2213-23-2': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-049d8d9aa8e17c65: {'2213-23-2': 'exactMatch'}
1f312468… altLabel — [{"@value":"(±)-2,4-Dimethylheptane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:2213-23-2","https://commonchemistry.cas.org/detail?cas_rn=2213-23-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Heptane, 2,4-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:2213-23-2","https://commonchemistry.cas.org/detail?cas_rn=2213-23-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,4-dimethylheptane||dimension=Environmental > media=Ground > geography=Agricultural; cas=2213-23-2; added Common Chemistry CAS names as altLabel: (±)-2,4-Dimethylheptane, Heptane, 2,4-dimethyl-; object_uuid=fo-049d8d9aa8e17c65
1f312468… cas_match_labels — {"2213-23-2":"exactMatch"} group_key=2,4-dimethylheptane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'pubchem']; cas_sources={'2213-23-2': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-049d8d9aa8e17c65: {'2213-23-2': 'exactMatch'}
1f312469… altLabel — [{"@value":"(±)-2,4-Dimethylheptane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:2213-23-2","https://commonchemistry.cas.org/detail?cas_rn=2213-23-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Heptane, 2,4-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:2213-23-2","https://commonchemistry.cas.org/detail?cas_rn=2213-23-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,4-dimethylheptane||dimension=Environmental > media=Ground > geography=Agricultural; cas=2213-23-2; added Common Chemistry CAS names as altLabel: (±)-2,4-Dimethylheptane, Heptane, 2,4-dimethyl-; object_uuid=fo-049d8d9aa8e17c65
1f312469… cas_match_labels — {"2213-23-2":"exactMatch"} group_key=2,4-dimethylheptane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'pubchem']; cas_sources={'2213-23-2': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-049d8d9aa8e17c65: {'2213-23-2': 'exactMatch'}
4d9a8790… altLabel — [{"@value":"(±)-2,4-Dimethylheptane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:2213-23-2","https://commonchemistry.cas.org/detail?cas_rn=2213-23-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Heptane, 2,4-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:2213-23-2","https://commonchemistry.cas.org/detail?cas_rn=2213-23-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,4-dimethylheptane||dimension=Environmental > media=Ground > geography=Agricultural; cas=2213-23-2; added Common Chemistry CAS names as altLabel: (±)-2,4-Dimethylheptane, Heptane, 2,4-dimethyl-; object_uuid=fo-049d8d9aa8e17c65
4d9a8790… cas_match_labels — {"2213-23-2":"exactMatch"} group_key=2,4-dimethylheptane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'pubchem']; cas_sources={'2213-23-2': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-049d8d9aa8e17c65: {'2213-23-2': 'exactMatch'}
fe0acd60… altLabel — [{"@value":"(±)-2,4-Dimethylheptane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:2213-23-2","https://commonchemistry.cas.org/detail?cas_rn=2213-23-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Heptane, 2,4-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:2213-23-2","https://commonchemistry.cas.org/detail?cas_rn=2213-23-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,4-dimethylheptane||dimension=Environmental > media=Ground > geography=Agricultural; cas=2213-23-2; added Common Chemistry CAS names as altLabel: (±)-2,4-Dimethylheptane, Heptane, 2,4-dimethyl-; object_uuid=fo-049d8d9aa8e17c65
fe0acd60… cas_match_labels — {"2213-23-2":"exactMatch"} group_key=2,4-dimethylheptane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'pubchem']; cas_sources={'2213-23-2': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-049d8d9aa8e17c65: {'2213-23-2': 'exactMatch'}
fe0acd60… altLabel — [{"@value":"(±)-2,4-Dimethylheptane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:2213-23-2","https://commonchemistry.cas.org/detail?cas_rn=2213-23-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Heptane, 2,4-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:2213-23-2","https://commonchemistry.cas.org/detail?cas_rn=2213-23-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,4-dimethylheptane||dimension=Environmental > media=Ground > geography=Agricultural; cas=2213-23-2; added Common Chemistry CAS names as altLabel: (±)-2,4-Dimethylheptane, Heptane, 2,4-dimethyl-; object_uuid=fo-049d8d9aa8e17c65
fe0acd60… cas_match_labels — {"2213-23-2":"exactMatch"} group_key=2,4-dimethylheptane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'pubchem']; cas_sources={'2213-23-2': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-049d8d9aa8e17c65: {'2213-23-2': 'exactMatch'}
fe0acd60… altLabel — [{"@value":"(±)-2,4-Dimethylheptane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:2213-23-2","https://commonchemistry.cas.org/detail?cas_rn=2213-23-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Heptane, 2,4-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:2213-23-2","https://commonchemistry.cas.org/detail?cas_rn=2213-23-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,4-dimethylheptane||dimension=Environmental > media=Ground > geography=Agricultural; cas=2213-23-2; added Common Chemistry CAS names as altLabel: (±)-2,4-Dimethylheptane, Heptane, 2,4-dimethyl-; object_uuid=fo-049d8d9aa8e17c65
fe0acd60… cas_match_labels — {"2213-23-2":"exactMatch"} group_key=2,4-dimethylheptane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'pubchem']; cas_sources={'2213-23-2': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-049d8d9aa8e17c65: {'2213-23-2': 'exactMatch'}

Flow Object JSON

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  "altLabel": [
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  "properties": {
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    "https://w3id.org/chemrof/smiles_string": {
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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    "https://w3id.org/chemrof/formal_charge": {
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