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3,5-dimethylbenzoyl Chloride

UUID b1ad7d3f-fe65-4ad5-8e4d-3d34141d052d
Flow Object IDfo-fdb57adaeaf1361b
Source EF 3.1
Context Environmental → Air → Unknown
CAS Numbers 6613-44-1
EC Numbers 413-010-9
prefLabel
Language Value Provenance
en 3,5-dimethylbenzoyl Chloride
altLabel ⓘ
Language Value Provenance
en Benzoyl chloride, 3,5-dimethyl-
References
Shared 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

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 b1ad7d3f-fe65-4ad5-8e4d-3d34141d052d 3,5-dimethylbenzoyl chloride

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 3,5-dimethylbenzoyl chloride Emissions/Emissions to air/Emissions to air, indoor 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=3,5-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
cas_match_labels 1 — consensus_match 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'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
indoorUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@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
cas_match_labels None {'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'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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