1,1,3,3-tetramethylbutyl Hydroperoxide

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1,1,3,3-tetramethylbutyl Hydroperoxide

UUID 77c09d78-141e-4232-832c-effc560993f0

Flow Object ID fo-2da051ef913908b5

Source EF 3.1

Context Environmental → Water → Surface water

CAS Numbers 5809-08-5

EC Numbers 227-369-2

prefLabel

Language	Value	Provenance
`en`	`1,1,3,3-tetramethylbutyl Hydroperoxide`

altLabel ⓘ

Language	Value	Provenance
`en`	`2,4,4-Trimethyl-2-hydroperoxypentane`
`en`	`2,4,4-Trimethyl-2-pentyl hydroperoxide`
`en`	`2-Neopentyl-2-propyl hydroperoxide`
`en`	`<em>tert</em>-Octyl hydroperoxide`
`en`	`Hydroperoxide, 1,1,3,3-tetramethylbutyl`
`en`	`Luperox 215`
`en`	`Lupersol 215`
`en`	`Perocta H`
`en`	`Trigonox TMBH`
`en`	`Trigonox TMBH-L`
`en`	`Trigonox TMPH`

References

Shared Properties

Predicate	Value
InChIKey	`FLIOATBXVNLPLK-UHFFFAOYSA-N, MIRQGKQPLPBZQM-UHFFFAOYSA-N, WTNGAIOERUVLSM-DBYPJSFMSA-N`
InChI	`InChI=1S/C20H14N6O6S/c1-2-32-19(29)15(23-22-11-7-9-12(10-8-11)26(30)31)16(27)18-24-25-14-6-4-3-5-13(14)17(28)21-20(25)33-18/h3-10,27H,2H2,1H3/b16-15-,23-22?, InChI=1S/C7H9NO4S/c1-12-7-3-2-5(4-6(7)8)13(9,10)11/h2-4H,8H2,1H3,(H,9,10,11), InChI=1S/C8H18O2/c1-7(2,3)6-8(4,5)10-9/h9H,6H2,1-5H3`
IUPAC name	(Z)-3-hydroxy-2-(4-nitrophenyl)azo-3-(5-oxo-[1,3,4]thiadiazolo[3,2-a]quinazolin-2-yl)-2-propenoic acid ethyl ester, (Z)-3-hydroxy-3-(5-keto-[1,3,4]thiadiazolo[3,2-a]quinazolin-2-yl)-2-(4-nitrophenyl)azo-acrylic acid ethyl ester, 2-(dioxidanyl)-2,4,4-trimethyl-pentane, 2-hydroperoxy-2,4,4-trimethyl-pentane, 2-hydroperoxy-2,4,4-trimethylpentane, 3-amino-4-methoxy-benzenesulfonic acid, 3-amino-4-methoxy-besylic acid, 3-amino-4-methoxybenzenesulfonic acid, 3-azanyl-4-methoxy-benzenesulfonic acid, ethyl (Z)-2-[(4-nitrophenyl)diazenyl]-3-oxidanyl-3-(5-oxidanylidene-[1,3,4]thiadiazolo[3,2-a]quinazolin-2-yl)prop-2-enoate, ethyl (Z)-3-hydroxy-2-(4-nitrophenyl)azo-3-(5-oxo-[1,3,4]thiadiazolo[3,2-a]quinazolin-2-yl)prop-2-enoate, ethyl (Z)-3-hydroxy-2-[(4-nitrophenyl)diazenyl]-3-(5-oxo-[1,3,4]thiadiazolo[3,2-a]quinazolin-2-yl)prop-2-enoate
Molecular formula	`C20H14N6O6S, C7H9NO4S, C8H18O2`
SMILES	`CC(C)(C)CC(C)(C)OO, CCOC(=O)/C(=C(\C1=NN2C3=CC=CC=C3C(=O)N=C2S1)/O)/N=NC4=CC=C(C=C4)[N+](=O)[O-], CCOC(=O)C(=C(C1=NN2C3=CC=CC=C3C(=O)N=C2S1)O)N=NC4=CC=C(C=C4)[N+](=O)[O-], COC1=C(C=C(C=C1)S(=O)(=O)O)N`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`77c09d78-141e-4232-832c-effc560993f0`	1,1,3,3-tetramethylbutyl hydroperoxide

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	1,1,3,3-tetramethylbutyl hydroperoxide	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=1,1,3,3-tetramethylbutylhydroperoxide\|\|dimension=Environmental > media=Air > indoor=Unknown; cas=5809-08-5; added Common Chemistry CAS names as altLabel: 2,4,4-Trimethyl-2-hydroperoxypentane, 2,4,4-Trimethyl-2-pentyl hydroperoxide, 2-Neopentyl-2-propyl hydroperoxide, <em>tert</em>-Octyl hydroperoxide, Hydroperoxide, 1,1,3,3-tetramethylbutyl, Luperox 215, Lupersol 215, Perocta H, Trigonox TMBH, Trigonox TMBH-L, Trigonox TMPH; object_uuid=fo-2da051ef913908b5
`cas_match_labels`	1	`—`	consensus_match	group_key=1,1,3,3-tetramethylbutylhydroperoxide\|\|dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'5809-08-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2da051ef913908b5: {'5809-08-5': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Water
water_body	Surface water

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '2,4,4-Trimethyl-2-hydroperoxypentane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5809-08-5', 'https://commonchemistry.cas.org/detail?cas_rn=5809-08-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2,4,4-Trimethyl-2-pentyl hydroperoxide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5809-08-5', 'https://commonchemistry.cas.org/detail?cas_rn=5809-08-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Neopentyl-2-propyl hydroperoxide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5809-08-5', 'https://commonchemistry.cas.org/detail?cas_rn=5809-08-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>tert</em>-Octyl hydroperoxide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5809-08-5', 'https://commonchemistry.cas.org/detail?cas_rn=5809-08-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Hydroperoxide, 1,1,3,3-tetramethylbutyl', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5809-08-5', 'https://commonchemistry.cas.org/detail?cas_rn=5809-08-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Luperox 215', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5809-08-5', 'https://commonchemistry.cas.org/detail?cas_rn=5809-08-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Lupersol 215', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5809-08-5', 'https://commonchemistry.cas.org/detail?cas_rn=5809-08-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Perocta H', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5809-08-5', 'https://commonchemistry.cas.org/detail?cas_rn=5809-08-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Trigonox TMBH', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5809-08-5', 'https://commonchemistry.cas.org/detail?cas_rn=5809-08-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Trigonox TMBH-L', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5809-08-5', 'https://commonchemistry.cas.org/detail?cas_rn=5809-08-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Trigonox TMPH', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5809-08-5', 'https://commonchemistry.cas.org/detail?cas_rn=5809-08-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=1,1,3,3-tetramethylbutylhydroperoxide\|\|dimension=Environmental > media=Air > indoor=Unknown; cas=5809-08-5; added Common Chemistry CAS names as altLabel: 2,4,4-Trimethyl-2-hydroperoxypentane, 2,4,4-Trimethyl-2-pentyl hydroperoxide, 2-Neopentyl-2-propyl hydroperoxide, <em>tert</em>-Octyl hydroperoxide, Hydroperoxide, 1,1,3,3-tetramethylbutyl, Luperox 215, Lupersol 215, Perocta H, Trigonox TMBH, Trigonox TMBH-L, Trigonox TMPH; object_uuid=fo-2da051ef913908b5
`cas_match_labels`	`None`	`{'5809-08-5': 'exactMatch'}`	group_key=1,1,3,3-tetramethylbutylhydroperoxide\|\|dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'5809-08-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2da051ef913908b5: {'5809-08-5': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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