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2,2,2-trichloro-1-phenylethyl Acetate

UUID a248497e-16d3-4c6d-a698-802944ac7f79
Flow Object IDfo-054e8cded4fdab1d
Source EF 3.1
Context Environmental → Air → Unknown
CAS Numbers 90-17-5
EC Numbers 201-972-0
prefLabel
Language Value Provenance
en 2,2,2-trichloro-1-phenylethyl Acetate
altLabel ⓘ
Language Value Provenance
en (Trichloromethyl)phenylcarbinyl acetate
en (±)-α-(Trichloromethyl)benzyl acetate
en 2-Acetoxy-1,1,1-trichloro-2-phenylethane
en Benzenemethanol, α-(trichloromethyl)-, 1-acetate
en Benzenemethanol, α-(trichloromethyl)-, acetate
en Benzyl alcohol, α-(trichloromethyl)-, acetate
en Crystal rose
en NSC 165582
en Rosacetate
en Rosacetol
en Rosephenone
en Rosetone
en Rosinol Cryst
en Rosone
en α-(Trichloromethyl)benzyl acetate
References
Shared Properties
Predicate Value
InChIKey JKRWZLOCPLZZEI-UHFFFAOYSA-N, UOSDNSXFUOPHTK-UHFFFAOYSA-N
InChI InChI=1S/C10H9Cl3O2/c1-7(14)15-9(10(11,12)13)8-5-3-2-4-6-8/h2-6,9H,1H3, InChI=1S/C4H5N3O2/c1-9-4-6-2-5-3(8)7-4/h2H,1H3,(H,5,6,7,8)
IUPAC name (2,2,2-trichloro-1-phenyl-ethyl) acetate, (2,2,2-trichloro-1-phenylethyl) acetate, 6-methoxy-1H-1,3,5-triazin-2-one, 6-methoxy-1H-s-triazin-2-one, [2,2,2-tris(chloranyl)-1-phenyl-ethyl] ethanoate, acetic acid (2,2,2-trichloro-1-phenyl-ethyl) ester, acetic acid (2,2,2-trichloro-1-phenylethyl) ester
Molecular formula C10H9Cl3O2, C4H5N3O2
Molecular mass 267.539
Monoisotopic mass 265.966813
SMILES CC(=O)OC(C1=CC=CC=C1)C(Cl)(Cl)Cl, CC(=O)OC(c1ccccc1)C(Cl)(Cl)Cl, COC1=NC=NC(=O)N1

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 a248497e-16d3-4c6d-a698-802944ac7f79 2,2,2-trichloro-1-phenylethyl acetate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 2,2,2-trichloro-1-phenylethyl acetate 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=2,2,2-trichloro-1-phenylethylacetate||dimension=Environmental > media=Water > water_body=Unknown; cas=90-17-5; added Common Chemistry CAS names as altLabel: (Trichloromethyl)phenylcarbinyl acetate, (±)-α-(Trichloromethyl)benzyl acetate, 2-Acetoxy-1,1,1-trichloro-2-phenylethane, Benzenemethanol, α-(trichloromethyl)-, 1-acetate, Benzenemethanol, α-(trichloromethyl)-, acetate, Benzyl alcohol, α-(trichloromethyl)-, acetate, Crystal rose, NSC 165582, Rosacetate, Rosacetol, Rosephenone, Rosetone, Rosinol Cryst, Rosone, α-(Trichloromethyl)benzyl acetate; object_uuid=fo-054e8cded4fdab1d
cas_match_labels 1 — consensus_match group_key=2,2,2-trichloro-1-phenylethylacetate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'90-17-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-054e8cded4fdab1d: {'90-17-5': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
indoorUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '(Trichloromethyl)phenylcarbinyl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:90-17-5', 'https://commonchemistry.cas.org/detail?cas_rn=90-17-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(±)-α-(Trichloromethyl)benzyl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:90-17-5', 'https://commonchemistry.cas.org/detail?cas_rn=90-17-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Acetoxy-1,1,1-trichloro-2-phenylethane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:90-17-5', 'https://commonchemistry.cas.org/detail?cas_rn=90-17-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzenemethanol, α-(trichloromethyl)-, 1-acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:90-17-5', 'https://commonchemistry.cas.org/detail?cas_rn=90-17-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzenemethanol, α-(trichloromethyl)-, acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:90-17-5', 'https://commonchemistry.cas.org/detail?cas_rn=90-17-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzyl alcohol, α-(trichloromethyl)-, acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:90-17-5', 'https://commonchemistry.cas.org/detail?cas_rn=90-17-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Crystal rose', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:90-17-5', 'https://commonchemistry.cas.org/detail?cas_rn=90-17-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 165582', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:90-17-5', 'https://commonchemistry.cas.org/detail?cas_rn=90-17-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Rosacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:90-17-5', 'https://commonchemistry.cas.org/detail?cas_rn=90-17-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Rosacetol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:90-17-5', 'https://commonchemistry.cas.org/detail?cas_rn=90-17-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Rosephenone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:90-17-5', 'https://commonchemistry.cas.org/detail?cas_rn=90-17-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Rosetone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:90-17-5', 'https://commonchemistry.cas.org/detail?cas_rn=90-17-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Rosinol Cryst', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:90-17-5', 'https://commonchemistry.cas.org/detail?cas_rn=90-17-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Rosone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:90-17-5', 'https://commonchemistry.cas.org/detail?cas_rn=90-17-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'α-(Trichloromethyl)benzyl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:90-17-5', 'https://commonchemistry.cas.org/detail?cas_rn=90-17-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=2,2,2-trichloro-1-phenylethylacetate||dimension=Environmental > media=Water > water_body=Unknown; cas=90-17-5; added Common Chemistry CAS names as altLabel: (Trichloromethyl)phenylcarbinyl acetate, (±)-α-(Trichloromethyl)benzyl acetate, 2-Acetoxy-1,1,1-trichloro-2-phenylethane, Benzenemethanol, α-(trichloromethyl)-, 1-acetate, Benzenemethanol, α-(trichloromethyl)-, acetate, Benzyl alcohol, α-(trichloromethyl)-, acetate, Crystal rose, NSC 165582, Rosacetate, Rosacetol, Rosephenone, Rosetone, Rosinol Cryst, Rosone, α-(Trichloromethyl)benzyl acetate; object_uuid=fo-054e8cded4fdab1d
cas_match_labels None {'90-17-5': 'exactMatch'} group_key=2,2,2-trichloro-1-phenylethylacetate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'90-17-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-054e8cded4fdab1d: {'90-17-5': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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