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Ethyl Cyanoacetate

UUID 04e13e21-d3d7-48ba-b818-fcd41db18a07
Flow Object IDfo-758e89e80324c85d
Source EF 3.1
Context Environmental → Water → Ocean
CAS Numbers 105-56-6
EC Numbers 203-309-0
prefLabel
Language Value Provenance
en Ethyl Cyanoacetate
altLabel ⓘ
Language Value Provenance
en (Ethoxycarbonyl)acetonitrile
en 2-Cyanoacetic acid ethyl ester
en 3-Ethoxy-3-oxopropanenitrile
en Acetic acid, 2-cyano-, ethyl ester
en Acetic acid, cyano-, ethyl ester
en Cyanoacetic acid ethyl ester
en Cyanoacetic ester
en Ethyl 2-cyanoacetate
en Ethyl cyanacetate
en Ethyl cyanoethanoate
en Ethyl α-cyanoacetate
en Malonic acid ethyl ester nitrile
en NSC 8844
References
Shared Properties
Predicate Value
InChIKey FJKROLUGYXJWQN-UHFFFAOYSA-N, FPGGTKZVZWFYPV-UHFFFAOYSA-M, OGXXVLOAJZDVFY-UHFFFAOYSA-N, XNINAOUGJUYOQX-UHFFFAOYSA-M, ZIUSEGSNTOUIPT-UHFFFAOYSA-N
InChI InChI=1S/C16H14N2/c1-3-7-14-11(5-1)9-16(18-14)13-10-17-15-8-4-2-6-12(13)15/h1-8,10,16-18H,9H2, InChI=1S/C16H36N.FH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1, InChI=1S/C5H7NO2/c1-2-4(3-6)5(7)8/h4H,2H2,1H3,(H,7,8)/p-1, InChI=1S/C5H7NO2/c1-2-8-5(7)3-4-6/h2-3H2,1H3, InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)
IUPAC name 2-cyanoacetic acid ethyl ester, 2-cyanobutanoate, 2-cyanobutyrate, 3-(2,3-dihydro-1H-indol-2-yl)-1H-indole, 3-indolin-2-yl-1H-indole, 4-hydroxybenzoic acid, 4-oxidanylbenzoic acid, ethyl 2-cyanoacetate, ethyl 2-cyanoethanoate, tetrabutylammonium fluoride, tetrabutylazanium fluoride
Molecular formula C16H14N2, C16H36FN, C5H6NO2-, C5H7NO2, C7H6O3
SMILES C1=CC(=CC=C1C(=O)O)O, C1C(NC2=CC=CC=C21)C3=CNC4=CC=CC=C43, CCC(C#N)C(=O)[O-], CCCC[N+](CCCC)(CCCC)CCCC.[F-], CCOC(=O)CC#N

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 04e13e21-d3d7-48ba-b818-fcd41db18a07 ethyl cyanoacetate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 ethyl cyanoacetate 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=ethylcyanoacetate||dimension=Environmental > media=Water > water_body=Ocean; cas=105-56-6; added Common Chemistry CAS names as altLabel: (Ethoxycarbonyl)acetonitrile, 2-Cyanoacetic acid ethyl ester, 3-Ethoxy-3-oxopropanenitrile, Acetic acid, 2-cyano-, ethyl ester, Acetic acid, cyano-, ethyl ester, Cyanoacetic acid ethyl ester, Cyanoacetic ester, Ethyl 2-cyanoacetate, Ethyl cyanacetate, Ethyl cyanoethanoate, Ethyl α-cyanoacetate, Malonic acid ethyl ester nitrile, NSC 8844; object_uuid=fo-758e89e80324c85d
cas_match_labels 1 — consensus_match group_key=ethylcyanoacetate||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'105-56-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-758e89e80324c85d: {'105-56-6': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyOcean

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '(Ethoxycarbonyl)acetonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-56-6', 'https://commonchemistry.cas.org/detail?cas_rn=105-56-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Cyanoacetic acid ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-56-6', 'https://commonchemistry.cas.org/detail?cas_rn=105-56-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Ethoxy-3-oxopropanenitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-56-6', 'https://commonchemistry.cas.org/detail?cas_rn=105-56-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Acetic acid, 2-cyano-, ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-56-6', 'https://commonchemistry.cas.org/detail?cas_rn=105-56-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Acetic acid, cyano-, ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-56-6', 'https://commonchemistry.cas.org/detail?cas_rn=105-56-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cyanoacetic acid ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-56-6', 'https://commonchemistry.cas.org/detail?cas_rn=105-56-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cyanoacetic ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-56-6', 'https://commonchemistry.cas.org/detail?cas_rn=105-56-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethyl 2-cyanoacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-56-6', 'https://commonchemistry.cas.org/detail?cas_rn=105-56-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethyl cyanacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-56-6', 'https://commonchemistry.cas.org/detail?cas_rn=105-56-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethyl cyanoethanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-56-6', 'https://commonchemistry.cas.org/detail?cas_rn=105-56-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethyl α-cyanoacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-56-6', 'https://commonchemistry.cas.org/detail?cas_rn=105-56-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Malonic acid ethyl ester nitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-56-6', 'https://commonchemistry.cas.org/detail?cas_rn=105-56-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 8844', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-56-6', 'https://commonchemistry.cas.org/detail?cas_rn=105-56-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=ethylcyanoacetate||dimension=Environmental > media=Water > water_body=Ocean; cas=105-56-6; added Common Chemistry CAS names as altLabel: (Ethoxycarbonyl)acetonitrile, 2-Cyanoacetic acid ethyl ester, 3-Ethoxy-3-oxopropanenitrile, Acetic acid, 2-cyano-, ethyl ester, Acetic acid, cyano-, ethyl ester, Cyanoacetic acid ethyl ester, Cyanoacetic ester, Ethyl 2-cyanoacetate, Ethyl cyanacetate, Ethyl cyanoethanoate, Ethyl α-cyanoacetate, Malonic acid ethyl ester nitrile, NSC 8844; object_uuid=fo-758e89e80324c85d
cas_match_labels None {'105-56-6': 'exactMatch'} group_key=ethylcyanoacetate||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'105-56-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-758e89e80324c85d: {'105-56-6': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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