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Butanoyl Chloride

UUID 602dec10-3dd1-4411-bfce-dd90c9703ae4
Flow Object IDfo-5897bebbab1119df
Source EF 3.1
Context Environmental → Water → Ocean
CAS Numbers 141-75-3
EC Numbers 205-498-5
prefLabel
Language Value Provenance
en Butanoyl Chloride
altLabel
Language Value Provenance
en <em>n</em>-Butanoyl chloride
en <em>n</em>-Butyroyl chloride
en <em>n</em>-Butyryl chloride
en Butanoic acid chloride
en Butyric acid chloride
en Butyric chloride
en Butyroyl chloride
en Butyryl chloride
References
Shared Properties
Predicate Value
InChIKey DVECBJCOGJRVPX-UHFFFAOYSA-N, DZPFGVQQPONIOI-UHFFFAOYSA-N
InChI InChI=1S/C23H33NO3/c1-13(25)23-20(27-14(2)24-23)12-19-17-6-5-15-11-16(26)7-9-21(15,3)18(17)8-10-22(19,23)4/h5,16-20,26H,6-12H2,1-4H3, InChI=1S/C4H7ClO/c1-2-3-4(5)6/h2-3H2,1H3
IUPAC name 1-(16-hydroxy-6,9,13-trimethyl-5-oxa-7-azapentacyclo[10.8.0.02,9.04,8.013,18]eicosa-6,18-dien-8-yl)ethanone, 1-(16-hydroxy-6,9,13-trimethyl-5-oxa-7-azapentacyclo[10.8.0.02,9.04,8.013,18]icosa-6,18-dien-8-yl)ethanone, 1-(6,9,13-trimethyl-16-oxidanyl-5-oxa-7-azapentacyclo[10.8.0.02,9.04,8.013,18]icosa-6,18-dien-8-yl)ethanone, butanoyl chloride, butyryl chloride
Molecular formula C23H33NO3, C4H7ClO
SMILES CC1=NC2(C(O1)CC3C2(CCC4C3CC=C5C4(CCC(C5)O)C)C)C(=O)C, CCCC(=O)Cl

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 602dec10-3dd1-4411-bfce-dd90c9703ae4 butanoyl chloride

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 butanoyl chloride Emissions/Emissions to water/Emissions to sea water 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=butanoylchloride||dimension=Environmental > media=Water > water_body=Unknown; cas=141-75-3; added Common Chemistry CAS names as altLabel: <em>n</em>-Butanoyl chloride, <em>n</em>-Butyroyl chloride, <em>n</em>-Butyryl chloride, Butanoic acid chloride, Butyric acid chloride, Butyric chloride, Butyroyl chloride, Butyryl chloride; object_uuid=fo-5897bebbab1119df
cas_match_labels 1 consensus_match group_key=butanoylchloride||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'141-75-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5897bebbab1119df: {'141-75-3': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyOcean

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '<em>n</em>-Butanoyl chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:141-75-3', 'https://commonchemistry.cas.org/detail?cas_rn=141-75-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>n</em>-Butyroyl chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:141-75-3', 'https://commonchemistry.cas.org/detail?cas_rn=141-75-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>n</em>-Butyryl chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:141-75-3', 'https://commonchemistry.cas.org/detail?cas_rn=141-75-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Butanoic acid chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:141-75-3', 'https://commonchemistry.cas.org/detail?cas_rn=141-75-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Butyric acid chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:141-75-3', 'https://commonchemistry.cas.org/detail?cas_rn=141-75-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Butyric chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:141-75-3', 'https://commonchemistry.cas.org/detail?cas_rn=141-75-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Butyroyl chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:141-75-3', 'https://commonchemistry.cas.org/detail?cas_rn=141-75-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Butyryl chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:141-75-3', 'https://commonchemistry.cas.org/detail?cas_rn=141-75-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=butanoylchloride||dimension=Environmental > media=Water > water_body=Unknown; cas=141-75-3; added Common Chemistry CAS names as altLabel: <em>n</em>-Butanoyl chloride, <em>n</em>-Butyroyl chloride, <em>n</em>-Butyryl chloride, Butanoic acid chloride, Butyric acid chloride, Butyric chloride, Butyroyl chloride, Butyryl chloride; object_uuid=fo-5897bebbab1119df
cas_match_labels None {'141-75-3': 'exactMatch'} group_key=butanoylchloride||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'141-75-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5897bebbab1119df: {'141-75-3': '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,
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  "unit": "kg",
  "lcia_methods": [
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      "characterization_factor": 1.6032
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  "source": "EF 3.1",
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        ]
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}