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1,1-dimethylpropyl 2-(ethylperoxy)hexanoate

UUID 2b44e0d2-570e-4c56-af7b-810d8de78cec
Flow Object IDfo-5c5d410a3e086625
Source EF 3.1
Context Environmental → Ground → Unknown
CAS Numbers 686-31-7
EC Numbers 211-687-3
prefLabel
Language Value Provenance
en 1,1-dimethylpropyl 2-(ethylperoxy)hexanoate
altLabel ⓘ
Language Value Provenance
en <em>tert</em>-Amyl 2-ethylperhexanoate
en <em>tert</em>-Amyl 2-ethylperoxyhexanoate
en <em>tert</em>-Amyl peroxy-2-ethylhexanoate
en <em>tert</em>-Pentyl alcohol, 2-ethylperoxyhexanoate
en <em>tert</em>-Pentyl peroxy-2-ethylhexanoate
en Esperox 570
en Hexaneperoxoic acid, 2-ethyl-, 1,1-dimethylpropyl ester
en Luperox 575
en Lupersol 575
en Lupersol TA 75
en Peroxyhexanoic acid, 2-ethyl-, <em>tert</em>-pentyl ester
en Trigonox 121
en Trigonox 121-50
en Trigonox 121-50E
en Trigonox 121C50
en Trigonox 121LS50
References
Shared Properties
Predicate Value
InChIKey IFXDUNDBQDXPQZ-LLVKDONJSA-N, IFXDUNDBQDXPQZ-UHFFFAOYSA-N, PRGAWFXXABCMIW-UHFFFAOYSA-L
InChI InChI=1S/2C9H7NO.Mg/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;/h2*1-6,11H;/q;;+2/p-2, InChI=1S/C13H26O3/c1-6-9-10-11(7-2)12(14)15-16-13(4,5)8-3/h11H,6-10H2,1-5H3, InChI=1S/C13H26O3/c1-6-9-10-11(7-2)12(14)15-16-13(4,5)8-3/h11H,6-10H2,1-5H3/t11-/m1/s1
IUPAC name (2R)-2-ethylhexaneperoxoic acid 2-methylbutan-2-yl ester, (2R)-2-ethylhexaneperoxoic acid tert-amyl ester, 1,1-dimethylpropyl (2R)-2-ethylhexaneperoxoate, 1,1-dimethylpropyl 2-ethylhexaneperoxoate, 2-ethylhexaneperoxoic acid 2-methylbutan-2-yl ester, 2-ethylhexaneperoxoic acid tert-amyl ester, 2-methylbutan-2-yl (2R)-2-ethylhexaneperoxoate, 2-methylbutan-2-yl 2-ethylhexaneperoxoate, magnesium bis(8-quinolinolate), magnesium bis(quinolin-8-olate)
Molecular formula C13H26O3, C18H12MgN2O2
SMILES C1=CC2=C(C(=C1)[O-])N=CC=C2.C1=CC2=C(C(=C1)[O-])N=CC=C2.[Mg+2], CCCCC(CC)C(=O)OOC(C)(C)CC, CCCC[C@@H](CC)C(=O)OOC(C)(C)CC

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 2b44e0d2-570e-4c56-af7b-810d8de78cec 1,1-dimethylpropyl 2-(ethylperoxy)hexanoate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 1,1-dimethylpropyl 2-(ethylperoxy)hexanoate Emissions/Emissions to soil/Emissions to non-agricultural soil 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=1,1-dimethylpropyl2-(ethylperoxy)hexanoate||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=686-31-7; added Common Chemistry CAS names as altLabel: <em>tert</em>-Amyl 2-ethylperhexanoate, <em>tert</em>-Amyl 2-ethylperoxyhexanoate, <em>tert</em>-Amyl peroxy-2-ethylhexanoate, <em>tert</em>-Pentyl alcohol, 2-ethylperoxyhexanoate, <em>tert</em>-Pentyl peroxy-2-ethylhexanoate, Esperox 570, Hexaneperoxoic acid, 2-ethyl-, 1,1-dimethylpropyl ester, Luperox 575, Lupersol 575, Lupersol TA 75, Peroxyhexanoic acid, 2-ethyl-, <em>tert</em>-pentyl ester, Trigonox 121, Trigonox 121-50, Trigonox 121-50E, Trigonox 121C50, Trigonox 121LS50; object_uuid=fo-5c5d410a3e086625
cas_match_labels 1 — consensus_match group_key=1,1-dimethylpropyl2-(ethylperoxy)hexanoate||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory']; cas_sources={'686-31-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-5c5d410a3e086625: {'686-31-7': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '<em>tert</em>-Amyl 2-ethylperhexanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:686-31-7', 'https://commonchemistry.cas.org/detail?cas_rn=686-31-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>tert</em>-Amyl 2-ethylperoxyhexanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:686-31-7', 'https://commonchemistry.cas.org/detail?cas_rn=686-31-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>tert</em>-Amyl peroxy-2-ethylhexanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:686-31-7', 'https://commonchemistry.cas.org/detail?cas_rn=686-31-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>tert</em>-Pentyl alcohol, 2-ethylperoxyhexanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:686-31-7', 'https://commonchemistry.cas.org/detail?cas_rn=686-31-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>tert</em>-Pentyl peroxy-2-ethylhexanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:686-31-7', 'https://commonchemistry.cas.org/detail?cas_rn=686-31-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Esperox 570', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:686-31-7', 'https://commonchemistry.cas.org/detail?cas_rn=686-31-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Hexaneperoxoic acid, 2-ethyl-, 1,1-dimethylpropyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:686-31-7', 'https://commonchemistry.cas.org/detail?cas_rn=686-31-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Luperox 575', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:686-31-7', 'https://commonchemistry.cas.org/detail?cas_rn=686-31-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Lupersol 575', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:686-31-7', 'https://commonchemistry.cas.org/detail?cas_rn=686-31-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Lupersol TA 75', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:686-31-7', 'https://commonchemistry.cas.org/detail?cas_rn=686-31-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Peroxyhexanoic acid, 2-ethyl-, <em>tert</em>-pentyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:686-31-7', 'https://commonchemistry.cas.org/detail?cas_rn=686-31-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Trigonox 121', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:686-31-7', 'https://commonchemistry.cas.org/detail?cas_rn=686-31-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Trigonox 121-50', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:686-31-7', 'https://commonchemistry.cas.org/detail?cas_rn=686-31-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Trigonox 121-50E', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:686-31-7', 'https://commonchemistry.cas.org/detail?cas_rn=686-31-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Trigonox 121C50', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:686-31-7', 'https://commonchemistry.cas.org/detail?cas_rn=686-31-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Trigonox 121LS50', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:686-31-7', 'https://commonchemistry.cas.org/detail?cas_rn=686-31-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=1,1-dimethylpropyl2-(ethylperoxy)hexanoate||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=686-31-7; added Common Chemistry CAS names as altLabel: <em>tert</em>-Amyl 2-ethylperhexanoate, <em>tert</em>-Amyl 2-ethylperoxyhexanoate, <em>tert</em>-Amyl peroxy-2-ethylhexanoate, <em>tert</em>-Pentyl alcohol, 2-ethylperoxyhexanoate, <em>tert</em>-Pentyl peroxy-2-ethylhexanoate, Esperox 570, Hexaneperoxoic acid, 2-ethyl-, 1,1-dimethylpropyl ester, Luperox 575, Lupersol 575, Lupersol TA 75, Peroxyhexanoic acid, 2-ethyl-, <em>tert</em>-pentyl ester, Trigonox 121, Trigonox 121-50, Trigonox 121-50E, Trigonox 121C50, Trigonox 121LS50; object_uuid=fo-5c5d410a3e086625
cas_match_labels None {'686-31-7': 'exactMatch'} group_key=1,1-dimethylpropyl2-(ethylperoxy)hexanoate||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory']; cas_sources={'686-31-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-5c5d410a3e086625: {'686-31-7': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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