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3-chloromethyl Heptane

UUID f2157186-6555-11dd-ad8b-0800200c9a66
Flow Object IDfo-77ef533ae901ae24
Source EF 3.1
Context Environmental → Ground → Agricultural
CAS Numbers 123-04-6
EC Numbers 204-594-4
prefLabel
Language Value Provenance
en 3-chloromethyl Heptane
altLabel ⓘ
Language Value Provenance
en 1-Chloro-2-ethylhexane
en 2-Ethylhexyl chloride
en 3-(Chloromethyl)heptane
en Heptane, 3-(chloromethyl)-
en NSC 8883
References
Shared Properties
Predicate Value
InChIKey NRTAVBWJKLYKNU-UHFFFAOYSA-M, WLVCBAMXYMWGLJ-MRVPVSSYSA-N, WLVCBAMXYMWGLJ-UHFFFAOYSA-N
InChI InChI=1S/C8H17Cl/c1-3-5-6-8(4-2)7-9/h8H,3-7H2,1-2H3, InChI=1S/C8H17Cl/c1-3-5-6-8(4-2)7-9/h8H,3-7H2,1-2H3/t8-/m1/s1, InChI=1S/C8H18.ClH/c1-4-5-6-7-8(2)3;/h8H,4-7H2,1-3H3;1H/p-1
IUPAC name (3R)-3-(chloromethyl)heptane, 2-methylheptane chloride, 3-(chloromethyl)heptane
Molecular formula C8H17Cl, C8H18Cl-
SMILES CCCCC(CC)CCl, CCCCCC(C)C.[Cl-], CCCC[C@@H](CC)CCl

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 f2157186-6555-11dd-ad8b-0800200c9a66 3-chloromethyl heptane

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 3-chloromethyl heptane Emissions/Emissions to soil/Emissions to agricultural soil kg exactMatch —

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 — consensus_match group_key=3-chloromethylheptane||dimension=Environmental > media=Air > indoor=Unknown; cas=123-04-6; added Common Chemistry CAS names as altLabel: 1-Chloro-2-ethylhexane, 2-Ethylhexyl chloride, 3-(Chloromethyl)heptane, Heptane, 3-(chloromethyl)-, NSC 8883; object_uuid=fo-77ef533ae901ae24
cas_match_labels 1 — consensus_match group_key=3-chloromethylheptane||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'123-04-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-77ef533ae901ae24: {'123-04-6': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyAgricultural

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '1-Chloro-2-ethylhexane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:123-04-6', 'https://commonchemistry.cas.org/detail?cas_rn=123-04-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Ethylhexyl chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:123-04-6', 'https://commonchemistry.cas.org/detail?cas_rn=123-04-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-(Chloromethyl)heptane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:123-04-6', 'https://commonchemistry.cas.org/detail?cas_rn=123-04-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Heptane, 3-(chloromethyl)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:123-04-6', 'https://commonchemistry.cas.org/detail?cas_rn=123-04-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 8883', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:123-04-6', 'https://commonchemistry.cas.org/detail?cas_rn=123-04-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=3-chloromethylheptane||dimension=Environmental > media=Air > indoor=Unknown; cas=123-04-6; added Common Chemistry CAS names as altLabel: 1-Chloro-2-ethylhexane, 2-Ethylhexyl chloride, 3-(Chloromethyl)heptane, Heptane, 3-(chloromethyl)-, NSC 8883; object_uuid=fo-77ef533ae901ae24
cas_match_labels None {'123-04-6': 'exactMatch'} group_key=3-chloromethylheptane||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'123-04-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-77ef533ae901ae24: {'123-04-6': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
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      "characterization_factor": 10.518
    },
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      "characterization_factor": 10.518
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  "source": "EF 3.1",
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