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3,5-dimethylbenzoyl Chloride

Flow Object IDfo-fdb57adaeaf1361b
TypeConsensus
prefLabel
Label Language
3,5-dimethylbenzoyl Chloride en
Alt Labels
Label Language Provenance
Benzoyl chloride, 3,5-dimethyl- en
CAS Numbers6613-44-1
EC Numbers413-010-9
Changes Applied26

Properties

Predicate Value
InChIKey BJEXWJSWDHTAHH-UHFFFAOYSA-N, ZJIOBDJEKDUUCI-UHFFFAOYSA-N
InChI InChI=1S/C12H22O4/c1-9(2,13)11(5,15)7-8-12(6,16)10(3,4)14/h13-16H,1-6H3, InChI=1S/C9H9ClO/c1-6-3-7(2)5-8(4-6)9(10)11/h3-5H,1-2H3
IUPAC name 2,3,6,7-tetramethyl-4-octyne-2,3,6,7-tetrol, 2,3,6,7-tetramethyloct-4-yne-2,3,6,7-tetrol, 3,5-dimethylbenzoyl chloride
Molecular formula C12H22O4, C9H9ClO
SMILES CC(C)(C(C)(C#CC(C)(C(C)(C)O)O)O)O, CC1=CC(=CC(=C1)C(=O)Cl)C

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
bf5bd26a… EF 3.1 kg Environmental → Air → Aircraft cruise height 4 2
f1f9ed03… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 2
70820a29… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 4 2
bb63c3fe… EF 3.1 kg Environmental → Air → High stack, >150 meters 4 2
2270d781… EF 3.1 kg Environmental → Air → Unknown 4 2
b1ad7d3f… EF 3.1 kg Environmental → Air → Unknown 4 2
8ba21b2c… EF 3.1 kg Environmental → Ground → Agricultural 4 2
02b585fc… EF 3.1 kg Environmental → Ground → Unknown 4 2
77f23371… EF 3.1 kg Environmental → Water → Ocean 4 2
e59aa578… EF 3.1 kg Environmental → Water → Surface water 4 2
1f427230… EF 3.1 kg Environmental → Water → Unknown 4 2

Changes Applied

Elementary Flow Field Old Value New Value Comment
02b585fc… altLabel [{"@value":"Benzoyl chloride, 3,5-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:6613-44-1","https://commonchemistry.cas.org/detail?cas_rn=6613-44-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=3,5-dimethylbenzoylchloride||dimension=Environmental > media=Ground > geography=Unknown; cas=6613-44-1; added Common Chemistry CAS names as altLabel: Benzoyl chloride, 3,5-dimethyl-; object_uuid=fo-fdb57adaeaf1361b
02b585fc… cas_match_labels {"6613-44-1":"exactMatch"} group_key=3,5-dimethylbenzoylchloride||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'6613-44-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-fdb57adaeaf1361b: {'6613-44-1': 'exactMatch'}
0826f6ff… altLabel [{"@value":"Benzoyl chloride, 3,5-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:6613-44-1","https://commonchemistry.cas.org/detail?cas_rn=6613-44-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=3,5-dimethylbenzoylchloride||dimension=Environmental > media=Ground > geography=Unknown; cas=6613-44-1; added Common Chemistry CAS names as altLabel: Benzoyl chloride, 3,5-dimethyl-; object_uuid=fo-fdb57adaeaf1361b
0826f6ff… cas_match_labels {"6613-44-1":"exactMatch"} group_key=3,5-dimethylbenzoylchloride||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'6613-44-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-fdb57adaeaf1361b: {'6613-44-1': 'exactMatch'}
1f427230… altLabel [{"@value":"Benzoyl chloride, 3,5-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:6613-44-1","https://commonchemistry.cas.org/detail?cas_rn=6613-44-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=3,5-dimethylbenzoylchloride||dimension=Environmental > media=Ground > geography=Unknown; cas=6613-44-1; added Common Chemistry CAS names as altLabel: Benzoyl chloride, 3,5-dimethyl-; object_uuid=fo-fdb57adaeaf1361b
1f427230… cas_match_labels {"6613-44-1":"exactMatch"} group_key=3,5-dimethylbenzoylchloride||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'6613-44-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-fdb57adaeaf1361b: {'6613-44-1': 'exactMatch'}
2270d781… altLabel [{"@value":"Benzoyl chloride, 3,5-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:6613-44-1","https://commonchemistry.cas.org/detail?cas_rn=6613-44-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=3,5-dimethylbenzoylchloride||dimension=Environmental > media=Ground > geography=Unknown; cas=6613-44-1; added Common Chemistry CAS names as altLabel: Benzoyl chloride, 3,5-dimethyl-; object_uuid=fo-fdb57adaeaf1361b
2270d781… cas_match_labels {"6613-44-1":"exactMatch"} group_key=3,5-dimethylbenzoylchloride||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'6613-44-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-fdb57adaeaf1361b: {'6613-44-1': 'exactMatch'}
26540d30… altLabel [{"@value":"Benzoyl chloride, 3,5-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:6613-44-1","https://commonchemistry.cas.org/detail?cas_rn=6613-44-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=3,5-dimethylbenzoylchloride||dimension=Environmental > media=Ground > geography=Unknown; cas=6613-44-1; added Common Chemistry CAS names as altLabel: Benzoyl chloride, 3,5-dimethyl-; object_uuid=fo-fdb57adaeaf1361b
26540d30… cas_match_labels {"6613-44-1":"exactMatch"} group_key=3,5-dimethylbenzoylchloride||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'6613-44-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-fdb57adaeaf1361b: {'6613-44-1': 'exactMatch'}
70820a29… altLabel [{"@value":"Benzoyl chloride, 3,5-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:6613-44-1","https://commonchemistry.cas.org/detail?cas_rn=6613-44-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=3,5-dimethylbenzoylchloride||dimension=Environmental > media=Ground > geography=Unknown; cas=6613-44-1; added Common Chemistry CAS names as altLabel: Benzoyl chloride, 3,5-dimethyl-; object_uuid=fo-fdb57adaeaf1361b
70820a29… cas_match_labels {"6613-44-1":"exactMatch"} group_key=3,5-dimethylbenzoylchloride||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'6613-44-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-fdb57adaeaf1361b: {'6613-44-1': 'exactMatch'}
77f23371… altLabel [{"@value":"Benzoyl chloride, 3,5-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:6613-44-1","https://commonchemistry.cas.org/detail?cas_rn=6613-44-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=3,5-dimethylbenzoylchloride||dimension=Environmental > media=Ground > geography=Unknown; cas=6613-44-1; added Common Chemistry CAS names as altLabel: Benzoyl chloride, 3,5-dimethyl-; object_uuid=fo-fdb57adaeaf1361b
77f23371… cas_match_labels {"6613-44-1":"exactMatch"} group_key=3,5-dimethylbenzoylchloride||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'6613-44-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-fdb57adaeaf1361b: {'6613-44-1': 'exactMatch'}
8ba21b2c… altLabel [{"@value":"Benzoyl chloride, 3,5-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:6613-44-1","https://commonchemistry.cas.org/detail?cas_rn=6613-44-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=3,5-dimethylbenzoylchloride||dimension=Environmental > media=Ground > geography=Unknown; cas=6613-44-1; added Common Chemistry CAS names as altLabel: Benzoyl chloride, 3,5-dimethyl-; object_uuid=fo-fdb57adaeaf1361b
8ba21b2c… cas_match_labels {"6613-44-1":"exactMatch"} group_key=3,5-dimethylbenzoylchloride||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'6613-44-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-fdb57adaeaf1361b: {'6613-44-1': 'exactMatch'}
b1ad7d3f… altLabel [{"@value":"Benzoyl chloride, 3,5-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:6613-44-1","https://commonchemistry.cas.org/detail?cas_rn=6613-44-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=3,5-dimethylbenzoylchloride||dimension=Environmental > media=Ground > geography=Unknown; cas=6613-44-1; added Common Chemistry CAS names as altLabel: Benzoyl chloride, 3,5-dimethyl-; object_uuid=fo-fdb57adaeaf1361b
b1ad7d3f… cas_match_labels {"6613-44-1":"exactMatch"} group_key=3,5-dimethylbenzoylchloride||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'6613-44-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-fdb57adaeaf1361b: {'6613-44-1': 'exactMatch'}
bb63c3fe… altLabel [{"@value":"Benzoyl chloride, 3,5-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:6613-44-1","https://commonchemistry.cas.org/detail?cas_rn=6613-44-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=3,5-dimethylbenzoylchloride||dimension=Environmental > media=Ground > geography=Unknown; cas=6613-44-1; added Common Chemistry CAS names as altLabel: Benzoyl chloride, 3,5-dimethyl-; object_uuid=fo-fdb57adaeaf1361b
bb63c3fe… cas_match_labels {"6613-44-1":"exactMatch"} group_key=3,5-dimethylbenzoylchloride||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'6613-44-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-fdb57adaeaf1361b: {'6613-44-1': 'exactMatch'}
bf5bd26a… altLabel [{"@value":"Benzoyl chloride, 3,5-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:6613-44-1","https://commonchemistry.cas.org/detail?cas_rn=6613-44-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=3,5-dimethylbenzoylchloride||dimension=Environmental > media=Ground > geography=Unknown; cas=6613-44-1; added Common Chemistry CAS names as altLabel: Benzoyl chloride, 3,5-dimethyl-; object_uuid=fo-fdb57adaeaf1361b
bf5bd26a… cas_match_labels {"6613-44-1":"exactMatch"} group_key=3,5-dimethylbenzoylchloride||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'6613-44-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-fdb57adaeaf1361b: {'6613-44-1': 'exactMatch'}
e59aa578… altLabel [{"@value":"Benzoyl chloride, 3,5-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:6613-44-1","https://commonchemistry.cas.org/detail?cas_rn=6613-44-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=3,5-dimethylbenzoylchloride||dimension=Environmental > media=Ground > geography=Unknown; cas=6613-44-1; added Common Chemistry CAS names as altLabel: Benzoyl chloride, 3,5-dimethyl-; object_uuid=fo-fdb57adaeaf1361b
e59aa578… cas_match_labels {"6613-44-1":"exactMatch"} group_key=3,5-dimethylbenzoylchloride||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'6613-44-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-fdb57adaeaf1361b: {'6613-44-1': 'exactMatch'}
f1f9ed03… altLabel [{"@value":"Benzoyl chloride, 3,5-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:6613-44-1","https://commonchemistry.cas.org/detail?cas_rn=6613-44-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=3,5-dimethylbenzoylchloride||dimension=Environmental > media=Ground > geography=Unknown; cas=6613-44-1; added Common Chemistry CAS names as altLabel: Benzoyl chloride, 3,5-dimethyl-; object_uuid=fo-fdb57adaeaf1361b
f1f9ed03… cas_match_labels {"6613-44-1":"exactMatch"} group_key=3,5-dimethylbenzoylchloride||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'6613-44-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-fdb57adaeaf1361b: {'6613-44-1': 'exactMatch'}

Flow Object JSON

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