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Diethyl Benzylmalonate

UUID f1a8f302-c9a5-4d45-94a5-d8c835913f41
Flow Object IDfo-9e0351230816bea8
Source EF 3.1
Context Environmental → Water → Surface water
CAS Numbers 607-81-8
EC Numbers 210-142-7
prefLabel
Language Value Provenance
en Diethyl Benzylmalonate
altLabel ⓘ
Language Value Provenance
en (Phenylmethyl)propanedioic acid diethyl ester
en 1,1-Bis(ethoxycarbonyl)-2-phenylethane
en 1,3-Diethyl 2-(phenylmethyl)propanedioate
en 1,3-Diethyl 2-benzylpropanedioate
en 2-Benzylmalonic acid diethyl ester
en Benzylmalonic acid diethyl ester
en Diethyl 2-benzylmalonate
en Diethyl 2-benzylpropanedioate
en Malonic acid, benzyl-, diethyl ester
en NSC 41169
en NSC 631631
en NSC 8720
en Propanedioic acid, (phenylmethyl)-, diethyl ester
en Propanedioic acid, 2-(phenylmethyl)-, 1,3-diethyl ester
References
Shared Properties
Predicate Value
InChIKey ICZLTZWATFXDLP-UHFFFAOYSA-N, SYNHCENRCUAUNM-UHFFFAOYSA-N
InChI InChI=1S/C14H18O4/c1-3-17-13(15)12(14(16)18-4-2)10-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3, InChI=1S/C5H11Cl2NO.ClH/c1-8(9,4-2-6)5-3-7;/h2-5H2,1H3;1H
IUPAC name 2-(phenylmethyl)propanedioic acid diethyl ester, 2-benzylmalonic acid diethyl ester, 2-chloranyl-N-(2-chloroethyl)-N-methyl-ethanamine oxide;hydrochloride, 2-chloro-N-(2-chloroethyl)-N-methyl-ethanamine oxide;hydrochloride, 2-chloro-N-(2-chloroethyl)-N-methylethanamine oxide;hydrochloride, diethyl 2-(phenylmethyl)propanedioate, diethyl 2-benzylpropanedioate
Molecular formula C14H18O4, C5H12Cl3NO
SMILES CCOC(=O)C(CC1=CC=CC=C1)C(=O)OCC, C[N+](CCCl)(CCCl)[O-].Cl

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 f1a8f302-c9a5-4d45-94a5-d8c835913f41 diethyl benzylmalonate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 diethyl benzylmalonate Emissions/Emissions to water/Emissions to fresh 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=diethylbenzylmalonate||dimension=Environmental > media=Air > strata=Unknown; cas=607-81-8; added Common Chemistry CAS names as altLabel: (Phenylmethyl)propanedioic acid diethyl ester, 1,1-Bis(ethoxycarbonyl)-2-phenylethane, 1,3-Diethyl 2-(phenylmethyl)propanedioate, 1,3-Diethyl 2-benzylpropanedioate, 2-Benzylmalonic acid diethyl ester, Benzylmalonic acid diethyl ester, Diethyl 2-benzylmalonate, Diethyl 2-benzylpropanedioate, Malonic acid, benzyl-, diethyl ester, NSC 41169, NSC 631631, NSC 8720, Propanedioic acid, (phenylmethyl)-, diethyl ester, Propanedioic acid, 2-(phenylmethyl)-, 1,3-diethyl ester; object_uuid=fo-9e0351230816bea8
cas_match_labels 1 — consensus_match group_key=diethylbenzylmalonate||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'607-81-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9e0351230816bea8: {'607-81-8': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodySurface water

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '(Phenylmethyl)propanedioic acid diethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:607-81-8', 'https://commonchemistry.cas.org/detail?cas_rn=607-81-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,1-Bis(ethoxycarbonyl)-2-phenylethane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:607-81-8', 'https://commonchemistry.cas.org/detail?cas_rn=607-81-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,3-Diethyl 2-(phenylmethyl)propanedioate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:607-81-8', 'https://commonchemistry.cas.org/detail?cas_rn=607-81-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,3-Diethyl 2-benzylpropanedioate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:607-81-8', 'https://commonchemistry.cas.org/detail?cas_rn=607-81-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Benzylmalonic acid diethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:607-81-8', 'https://commonchemistry.cas.org/detail?cas_rn=607-81-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzylmalonic acid diethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:607-81-8', 'https://commonchemistry.cas.org/detail?cas_rn=607-81-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Diethyl 2-benzylmalonate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:607-81-8', 'https://commonchemistry.cas.org/detail?cas_rn=607-81-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Diethyl 2-benzylpropanedioate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:607-81-8', 'https://commonchemistry.cas.org/detail?cas_rn=607-81-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Malonic acid, benzyl-, diethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:607-81-8', 'https://commonchemistry.cas.org/detail?cas_rn=607-81-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 41169', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:607-81-8', 'https://commonchemistry.cas.org/detail?cas_rn=607-81-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 631631', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:607-81-8', 'https://commonchemistry.cas.org/detail?cas_rn=607-81-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 8720', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:607-81-8', 'https://commonchemistry.cas.org/detail?cas_rn=607-81-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Propanedioic acid, (phenylmethyl)-, diethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:607-81-8', 'https://commonchemistry.cas.org/detail?cas_rn=607-81-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Propanedioic acid, 2-(phenylmethyl)-, 1,3-diethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:607-81-8', 'https://commonchemistry.cas.org/detail?cas_rn=607-81-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=diethylbenzylmalonate||dimension=Environmental > media=Air > strata=Unknown; cas=607-81-8; added Common Chemistry CAS names as altLabel: (Phenylmethyl)propanedioic acid diethyl ester, 1,1-Bis(ethoxycarbonyl)-2-phenylethane, 1,3-Diethyl 2-(phenylmethyl)propanedioate, 1,3-Diethyl 2-benzylpropanedioate, 2-Benzylmalonic acid diethyl ester, Benzylmalonic acid diethyl ester, Diethyl 2-benzylmalonate, Diethyl 2-benzylpropanedioate, Malonic acid, benzyl-, diethyl ester, NSC 41169, NSC 631631, NSC 8720, Propanedioic acid, (phenylmethyl)-, diethyl ester, Propanedioic acid, 2-(phenylmethyl)-, 1,3-diethyl ester; object_uuid=fo-9e0351230816bea8
cas_match_labels None {'607-81-8': 'exactMatch'} group_key=diethylbenzylmalonate||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'607-81-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9e0351230816bea8: {'607-81-8': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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