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Α,α-dimethyl-ethyl Ester Benzeneacetic Acid

UUID 143d77ee-77b1-4d53-942d-747d63b060f0
Flow Object IDfo-6938eb56488f8898
Source EF 3.1
Context Environmental → Water → Surface water
CAS Numbers 2901-13-5
EC Numbers 608-307-7
prefLabel
Language Value Provenance
en Α,α-dimethyl-ethyl Ester Benzeneacetic Acid
altLabel ⓘ
Language Value Provenance
en Benzeneacetic acid, α,α-dimethyl-, ethyl ester
en Ethyl 2-methyl-2-phenylpropanoate
en Ethyl 2-methyl-2-phenylpropionate
en Ethyl 2-phenylisobutyrate
en Ethyl dimethylphenylacetate
en Ethyl α,α-dimethylbenzeneacetate
en Ethyl α,α-dimethylphenylacetate
en Hydratropic acid, α-methyl-, ethyl ester
en NSC 29060
References
Shared Properties
Predicate Value
InChIKey MRQJAFVCQWRYMV-LZYBPNLTSA-N, OFYSAFPKXXTYLU-UHFFFAOYSA-N, PWOKOUZTSVXULY-UHFFFAOYSA-N, ZOGRPOZNEZJMAR-UHFFFAOYSA-N
InChI InChI=1S/C12H16O2/c1-4-14-11(13)12(2,3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3, InChI=1S/C12H16O2/c1-5-11-6-7-12(14-10(4)13)9(3)8(11)2/h6-7H,5H2,1-4H3, InChI=1S/C12H18O2/c1-4-14-11(13)9-10-7-5-6-8-12(10,2)3/h5-8,10H,4,9H2,1-3H3, InChI=1S/C14H14N4O4/c1-21-12-5-3-10(7-13(12)22-2)8-16-17-14-6-4-11(9-15-14)18(19)20/h3-9H,1-2H3,(H,15,17)/b16-8+
IUPAC name (4-ethyl-2,3-dimethyl-phenyl) acetate, (4-ethyl-2,3-dimethyl-phenyl) ethanoate, (4-ethyl-2,3-dimethylphenyl) acetate, (5-nitro-2-pyridyl)-[(E)-veratrylideneamino]amine, 2-(6,6-dimethyl-1-cyclohexa-2,4-dienyl)acetic acid ethyl ester, 2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)acetic acid ethyl ester, 2-methyl-2-phenyl-propionic acid ethyl ester, 2-methyl-2-phenylpropanoic acid ethyl ester, N-[(E)-(3,4-dimethoxyphenyl)methyleneamino]-5-nitro-pyridin-2-amine, N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-5-nitro-2-pyridinamine, N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-5-nitro-pyridin-2-amine, N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-5-nitropyridin-2-amine, acetic acid (4-ethyl-2,3-dimethyl-phenyl) ester, acetic acid (4-ethyl-2,3-dimethylphenyl) ester, ethyl 2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)acetate, ethyl 2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)ethanoate, ethyl 2-methyl-2-phenyl-propanoate, ethyl 2-methyl-2-phenylpropanoate
Molecular formula C12H16O2, C12H18O2, C14H14N4O4
SMILES CCC1=C(C(=C(C=C1)OC(=O)C)C)C, CCOC(=O)C(C)(C)C1=CC=CC=C1, CCOC(=O)CC1C=CC=CC1(C)C, COC1=C(C=C(C=C1)/C=N/NC2=NC=C(C=C2)[N+](=O)[O-])OC, COC1=C(C=C(C=C1)C=NNC2=NC=C(C=C2)[N+](=O)[O-])OC

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 143d77ee-77b1-4d53-942d-747d63b060f0 α,α-dimethyl-ethyl ester benzeneacetic acid

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 α,α-dimethyl-ethyl ester benzeneacetic acid 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=α,α-dimethyl-ethylesterbenzeneaceticacid||dimension=Environmental > media=Water > water_body=Surface water; cas=2901-13-5; added Common Chemistry CAS names as altLabel: Benzeneacetic acid, α,α-dimethyl-, ethyl ester, Ethyl 2-methyl-2-phenylpropanoate, Ethyl 2-methyl-2-phenylpropionate, Ethyl 2-phenylisobutyrate, Ethyl dimethylphenylacetate, Ethyl α,α-dimethylbenzeneacetate, Ethyl α,α-dimethylphenylacetate, Hydratropic acid, α-methyl-, ethyl ester, NSC 29060; object_uuid=fo-6938eb56488f8898
cas_match_labels 1 — consensus_match group_key=α,α-dimethyl-ethylesterbenzeneaceticacid||dimension=Environmental > media=Water > water_body=Surface water; group_sources=[]; cas_sources={'2901-13-5': []}; assigned CAS labels from group consensus; object_uuid=fo-6938eb56488f8898: {'2901-13-5': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodySurface water

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': 'Benzeneacetic acid, α,α-dimethyl-, ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2901-13-5', 'https://commonchemistry.cas.org/detail?cas_rn=2901-13-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethyl 2-methyl-2-phenylpropanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2901-13-5', 'https://commonchemistry.cas.org/detail?cas_rn=2901-13-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethyl 2-methyl-2-phenylpropionate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2901-13-5', 'https://commonchemistry.cas.org/detail?cas_rn=2901-13-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethyl 2-phenylisobutyrate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2901-13-5', 'https://commonchemistry.cas.org/detail?cas_rn=2901-13-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethyl dimethylphenylacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2901-13-5', 'https://commonchemistry.cas.org/detail?cas_rn=2901-13-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethyl α,α-dimethylbenzeneacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2901-13-5', 'https://commonchemistry.cas.org/detail?cas_rn=2901-13-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethyl α,α-dimethylphenylacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2901-13-5', 'https://commonchemistry.cas.org/detail?cas_rn=2901-13-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Hydratropic acid, α-methyl-, ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2901-13-5', 'https://commonchemistry.cas.org/detail?cas_rn=2901-13-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 29060', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2901-13-5', 'https://commonchemistry.cas.org/detail?cas_rn=2901-13-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=α,α-dimethyl-ethylesterbenzeneaceticacid||dimension=Environmental > media=Water > water_body=Surface water; cas=2901-13-5; added Common Chemistry CAS names as altLabel: Benzeneacetic acid, α,α-dimethyl-, ethyl ester, Ethyl 2-methyl-2-phenylpropanoate, Ethyl 2-methyl-2-phenylpropionate, Ethyl 2-phenylisobutyrate, Ethyl dimethylphenylacetate, Ethyl α,α-dimethylbenzeneacetate, Ethyl α,α-dimethylphenylacetate, Hydratropic acid, α-methyl-, ethyl ester, NSC 29060; object_uuid=fo-6938eb56488f8898
cas_match_labels None {'2901-13-5': 'exactMatch'} group_key=α,α-dimethyl-ethylesterbenzeneaceticacid||dimension=Environmental > media=Water > water_body=Surface water; group_sources=[]; cas_sources={'2901-13-5': []}; assigned CAS labels from group consensus; object_uuid=fo-6938eb56488f8898: {'2901-13-5': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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