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Bis(ethylacetoacetato‐o1',o3")bis(2‐methylpropan‐1‐olato)titanium

UUID 7c5d6a1e-049c-4d57-8071-80aa3642f0ff
Flow Object IDfo-721383c39c522d04
Source EF 3.1
Context Environmental → Air → Ground level → Urban (>1000 people/square mile)
CAS Numbers 83877-91-2
EC Numbers 281-161-6
prefLabel
Language Value Provenance
en Bis(ethylacetoacetato‐o1',o3")bis(2‐methylpropan‐1‐olato)titanium
altLabel ⓘ
Language Value Provenance
en 1-Propanol, 2-methyl-, titanium complex
en AL-T
en Bis(ethyl acetoacetato)diisobutoxytitanium
en Butanoic acid, 3-oxo-, ethyl ester, titanium complex
en Catalyst AL-T
en Diisobutoxy bis(ethylacetoacetato)titanate
en T-IBAY
en Titanium(IV) bis(ethylacetoacetato)diisobutoxide
en Titanium, bis(ethyl 3-oxobutanoato-κ<em>O</em><sup>1′</sup>,κ<em>O</em><sup>3</sup>)bis(2-methyl-1-propanolato)-
en Tytan S 6
en Tyzor IBAY
References
Shared Properties
Predicate Value
InChIKey DVPALPRNLJYGKK-NRFIWDAESA-L, DVPALPRNLJYGKK-NZTFDADUSA-L, IVLBLTUZCAKUCG-UHFFFAOYSA-N, MQGQMNYZBCGZBE-NRFIWDAESA-L, ODCBHBSVBYNRNQ-UHFFFAOYSA-N, OKIVYQNYLSCGMS-DIDNUHJUSA-N, OKIVYQNYLSCGMS-NRFIWDAESA-N, OKIVYQNYLSCGMS-UHFFFAOYSA-N
InChI InChI=1S/2C6H10O3.2C4H10O.Ti/c2*1-3-9-6(8)4-5(2)7;2*1-4(2)3-5;/h2*3-4H2,1-2H3;2*4-5H,3H2,1-2H3;, InChI=1S/2C6H10O3.2C4H10O.Ti/c2*1-3-9-6(8)4-5(2)7;2*1-4(2)3-5;/h2*4,7H,3H2,1-2H3;2*4-5H,3H2,1-2H3;, InChI=1S/2C6H10O3.2C4H10O.Ti/c2*1-3-9-6(8)4-5(2)7;2*1-4(2)3-5;/h2*4,7H,3H2,1-2H3;2*4-5H,3H2,1-2H3;/b2*5-4-;;;, InChI=1S/2C6H10O3.2C4H10O.Ti/c2*1-3-9-6(8)4-5(2)7;2*1-4(2)3-5;/h2*4,7H,3H2,1-2H3;2*4-5H,3H2,1-2H3;/b5-4+;5-4-;;;, InChI=1S/2C6H10O3.2C4H9O.Ti/c2*1-3-9-6(8)4-5(2)7;2*1-3-4(2)5;/h2*4,7H,3H2,1-2H3;2*4H,3H2,1-2H3;/q;;2*-1;+4/p-2/b2*5-4-;;;, InChI=1S/2C6H10O3.2C4H9O.Ti/c2*1-3-9-6(8)4-5(2)7;2*1-4(2)3-5;/h2*4,7H,3H2,1-2H3;2*4H,3H2,1-2H3;/q;;2*-1;+4/p-2/b2*5-4+;;;, InChI=1S/2C6H10O3.2C4H9O.Ti/c2*1-3-9-6(8)4-5(2)7;2*1-4(2)3-5;/h2*4,7H,3H2,1-2H3;2*4H,3H2,1-2H3;/q;;2*-1;+4/p-2/b2*5-4-;;;, InChI=1S/2C6H9O3.2C4H9O.Ti/c2*1-3-9-6(8)4-5(2)7;2*1-4(2)3-5;/h2*4H,3H2,1-2H3;2*4H,3H2,1-2H3;/q4*-1;+4
IUPAC name (Z)-3-hydroxy-2-butenoic acid ethyl ester;(E)-3-hydroxy-2-butenoic acid ethyl ester;bis(2-methyl-1-propanol);titanium, (Z)-3-hydroxybut-2-enoic acid ethyl ester;(E)-3-hydroxybut-2-enoic acid ethyl ester;bis(2-methylpropan-1-ol);titanium, bis((E)-4-ethoxy-4-keto-but-2-en-2-olate);bis(2-methylpropan-1-olate);titanium(4+), bis((E)-4-ethoxy-4-oxidanylidene-but-2-en-2-olate);bis(2-methylpropan-1-olate);titanium(4+), bis((E)-4-ethoxy-4-oxo-2-buten-2-olate);bis(2-methyl-1-propanolate);titanium(4+), bis((E)-4-ethoxy-4-oxo-but-2-en-2-olate);bis(2-methylpropan-1-olate);titanium(4+), bis((E)-4-ethoxy-4-oxobut-2-en-2-olate);bis(2-methylpropan-1-olate);titanium(4+), bis((Z)-3-hydroxy-2-butenoic acid ethyl ester);bis(2-methyl-1-propanol);titanium, bis((Z)-3-hydroxybut-2-enoic acid ethyl ester);bis(2-methylpropan-1-ol);titanium, bis((Z)-4-ethoxy-4-keto-but-2-en-2-olate);bis(2-methylpropan-1-olate);titanium(4+), bis((Z)-4-ethoxy-4-oxidanylidene-but-2-en-2-olate);bis(2-methylpropan-1-olate);titanium(4+), bis((Z)-4-ethoxy-4-oxo-2-buten-2-olate);bis(2-methyl-1-propanolate);titanium(4+), bis((Z)-4-ethoxy-4-oxo-but-2-en-2-olate);bis(2-methylpropan-1-olate);titanium(4+), bis((Z)-4-ethoxy-4-oxobut-2-en-2-olate);bis(2-methylpropan-1-olate);titanium(4+), bis(2-butanolate);bis((Z)-4-ethoxy-4-oxo-2-buten-2-olate);titanium(4+), bis(2-methyl-1-propanol);bis(3-oxobutanoic acid ethyl ester);titanium, bis(2-methyl-1-propanolate);bis(3-oxobutanoic acid ethyl ester);titanium(4+), bis(3-hydroxy-2-butenoic acid ethyl ester);bis(2-methyl-1-propanol);titanium, bis(3-hydroxybut-2-enoic acid ethyl ester);bis(2-methylpropan-1-ol);titanium, bis(3-ketobutyric acid ethyl ester);bis(2-methylpropan-1-ol);titanium, bis(3-ketobutyric acid ethyl ester);bis(2-methylpropan-1-olate);titanium(4+), bis(butan-2-olate);bis((Z)-4-ethoxy-4-keto-but-2-en-2-olate);titanium(4+), bis(butan-2-olate);bis((Z)-4-ethoxy-4-oxidanylidene-but-2-en-2-olate);titanium(4+), bis(butan-2-olate);bis((Z)-4-ethoxy-4-oxo-but-2-en-2-olate);titanium(4+), bis(butan-2-olate);bis((Z)-4-ethoxy-4-oxobut-2-en-2-olate);titanium(4+), bis(ethyl (Z)-3-hydroxybut-2-enoate);bis(2-methylpropan-1-ol);titanium, bis(ethyl (Z)-3-oxidanylbut-2-enoate);bis(2-methylpropan-1-ol);titanium, bis(ethyl 3-hydroxybut-2-enoate);bis(2-methylpropan-1-ol);titanium, bis(ethyl 3-oxidanylbut-2-enoate);bis(2-methylpropan-1-ol);titanium, bis(ethyl 3-oxidanylidenebutanoate);bis(2-methylpropan-1-ol);titanium, bis(ethyl 3-oxidanylidenebutanoate);bis(2-methylpropan-1-olate);titanium(4+), bis(ethyl 3-oxobutanoate);bis(2-methylpropan-1-ol);titanium, bis(ethyl 3-oxobutanoate);bis(2-methylpropan-1-olate);titanium(4+), ethyl (Z)-3-hydroxybut-2-enoate;ethyl (E)-3-hydroxybut-2-enoate;bis(2-methylpropan-1-ol);titanium, ethyl (Z)-3-oxidanylbut-2-enoate;ethyl (E)-3-oxidanylbut-2-enoate;bis(2-methylpropan-1-ol);titanium
Molecular formula C20H36O8Ti, C20H40O8Ti
SMILES CCC(C)[O-].CCC(C)[O-].CCOC(=O)C=C(C)[O-].CCOC(=O)C=C(C)[O-].[Ti+4], CCC([O-])C.CCC([O-])C.CCOC(=O)/C=C(\[O-])/C.CCOC(=O)/C=C(\[O-])/C.[Ti+4], CCOC(=O)/C=C(/[O-])\C.CCOC(=O)/C=C(/[O-])\C.CC(C[O-])C.CC(C[O-])C.[Ti+4], CCOC(=O)/C=C(\C)/O.CCOC(=O)/C=C(/C)\O.CC(C)CO.CC(C)CO.[Ti], CCOC(=O)/C=C(\O)/C.CCOC(=O)/C=C(\O)/C.CC(CO)C.CC(CO)C.[Ti], CCOC(=O)/C=C(\[O-])/C.CCOC(=O)/C=C(\[O-])/C.CC(C[O-])C.CC(C[O-])C.[Ti+4], CCOC(=O)C=C(C)O.CCOC(=O)C=C(C)O.CC(C)CO.CC(C)CO.[Ti], CCOC(=O)C=C(C)[O-].CCOC(=O)C=C(C)[O-].CC(C)C[O-].CC(C)C[O-].[Ti+4], CCOC(=O)CC(=O)C.CCOC(=O)CC(=O)C.CC(C)CO.CC(C)CO.[Ti], CCOC(=O)[CH-]C(=O)C.CCOC(=O)[CH-]C(=O)C.CC(C)C[O-].CC(C)C[O-].[Ti+4]

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 7c5d6a1e-049c-4d57-8071-80aa3642f0ff bis(ethylacetoacetato‐o1',o3")bis(2‐methylpropan‐1‐olato)titanium

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 bis(ethylacetoacetato‐o1',o3")bis(2‐methylpropan‐1‐olato)titanium Emissions/Emissions to air/Emissions to urban air close to ground 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=bis(ethylacetoacetato‐o1',o3")bis(2‐methylpropan‐1‐olato)titanium||dimension=Environmental > media=Ground > geography=Unknown; cas=83877-91-2; added Common Chemistry CAS names as altLabel: 1-Propanol, 2-methyl-, titanium complex, AL-T, Bis(ethyl acetoacetato)diisobutoxytitanium, Butanoic acid, 3-oxo-, ethyl ester, titanium complex, Catalyst AL-T, Diisobutoxy bis(ethylacetoacetato)titanate, T-IBAY, Titanium(IV) bis(ethylacetoacetato)diisobutoxide, Titanium, bis(ethyl 3-oxobutanoato-κ<em>O</em><sup>1′</sup>,κ<em>O</em><sup>3</sup>)bis(2-methyl-1-propanolato)-, Tytan S 6, Tyzor IBAY; object_uuid=fo-721383c39c522d04
cas_match_labels 1 — consensus_match group_key=bis(ethylacetoacetato‐o1',o3")bis(2‐methylpropan‐1‐olato)titanium||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'83877-91-2': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-721383c39c522d04: {'83877-91-2': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataGround level
population_densityUrban (>1000 people/square mile)

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '1-Propanol, 2-methyl-, titanium complex', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:83877-91-2', 'https://commonchemistry.cas.org/detail?cas_rn=83877-91-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'AL-T', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:83877-91-2', 'https://commonchemistry.cas.org/detail?cas_rn=83877-91-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Bis(ethyl acetoacetato)diisobutoxytitanium', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:83877-91-2', 'https://commonchemistry.cas.org/detail?cas_rn=83877-91-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Butanoic acid, 3-oxo-, ethyl ester, titanium complex', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:83877-91-2', 'https://commonchemistry.cas.org/detail?cas_rn=83877-91-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Catalyst AL-T', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:83877-91-2', 'https://commonchemistry.cas.org/detail?cas_rn=83877-91-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Diisobutoxy bis(ethylacetoacetato)titanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:83877-91-2', 'https://commonchemistry.cas.org/detail?cas_rn=83877-91-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'T-IBAY', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:83877-91-2', 'https://commonchemistry.cas.org/detail?cas_rn=83877-91-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Titanium(IV) bis(ethylacetoacetato)diisobutoxide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:83877-91-2', 'https://commonchemistry.cas.org/detail?cas_rn=83877-91-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Titanium, bis(ethyl 3-oxobutanoato-κ<em>O</em><sup>1′</sup>,κ<em>O</em><sup>3</sup>)bis(2-methyl-1-propanolato)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:83877-91-2', 'https://commonchemistry.cas.org/detail?cas_rn=83877-91-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Tytan S 6', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:83877-91-2', 'https://commonchemistry.cas.org/detail?cas_rn=83877-91-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Tyzor IBAY', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:83877-91-2', 'https://commonchemistry.cas.org/detail?cas_rn=83877-91-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=bis(ethylacetoacetato‐o1',o3")bis(2‐methylpropan‐1‐olato)titanium||dimension=Environmental > media=Ground > geography=Unknown; cas=83877-91-2; added Common Chemistry CAS names as altLabel: 1-Propanol, 2-methyl-, titanium complex, AL-T, Bis(ethyl acetoacetato)diisobutoxytitanium, Butanoic acid, 3-oxo-, ethyl ester, titanium complex, Catalyst AL-T, Diisobutoxy bis(ethylacetoacetato)titanate, T-IBAY, Titanium(IV) bis(ethylacetoacetato)diisobutoxide, Titanium, bis(ethyl 3-oxobutanoato-κ<em>O</em><sup>1′</sup>,κ<em>O</em><sup>3</sup>)bis(2-methyl-1-propanolato)-, Tytan S 6, Tyzor IBAY; object_uuid=fo-721383c39c522d04
cas_match_labels None {'83877-91-2': 'exactMatch'} group_key=bis(ethylacetoacetato‐o1',o3")bis(2‐methylpropan‐1‐olato)titanium||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'83877-91-2': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-721383c39c522d04: {'83877-91-2': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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