Di-tert-butyl Sulphide

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UUID b9233987-3489-4cff-a7fb-b0352944185a

Flow Object ID fo-dd912831bd18aa44

Source EF 3.1

Context Environmental → Air → Ground level → Urban (>1000 people/square mile)

CAS Numbers 107-47-1

EC Numbers 203-493-2

prefLabel

Language	Value	Provenance
`en`	`Di-tert-butyl Sulphide`

altLabel ⓘ

Language	Value	Provenance
`en`	`2,2,4,4-Tetramethyl-3-thiapentane`
`en`	`2,2′-Thiobis[2-methylpropane]`
`en`	`2-(<em>tert</em>-Butylsulfanyl)-2-methylpropane`
`en`	`2-<em>tert</em>-Butylsulfanyl-2-methylpropane`
`en`	`<em>tert</em>-Butyl sulfide`
`en`	`Bis(1,1-dimethylethyl) sulfide`
`en`	`Bis(<em>tert</em>-butyl) sulfide`
`en`	`Di-<em>tert</em>-butyl sulfide`
`en`	`NSC 4549`
`en`	`Propane, 2,2′-thiobis[2-methyl-`

References

Shared Properties

Predicate	Value
InChIKey	`BODNDBJWUJCGHU-UHFFFAOYSA-N, LNMBCRKRCIMQLW-UHFFFAOYSA-N`
InChI	`InChI=1S/C26H54O17S.C12H12N2O2S/c27-1-2-31-3-4-32-5-6-33-7-8-34-9-10-35-11-12-36-13-14-37-15-16-38-17-18-39-19-20-40-21-22-41-23-24-42-25-26-43-44(28,29)30;13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h27H,1-26H2,(H,28,29,30);1-8H,13-14H2, InChI=1S/C8H18S/c1-7(2,3)9-8(4,5)6/h1-6H3`
IUPAC name	(4-sulfanilylphenyl)amine;sulfuric acid 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl ester, 2-(tert-butylthio)-2-methyl-propane, 2-(tert-butylthio)-2-methylpropane, 2-tert-butylsulfanyl-2-methyl-propane, 2-tert-butylsulfanyl-2-methylpropane, 4-(4-aminophenyl)sulfonylaniline;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate, 4-(4-aminophenyl)sulfonylaniline;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate, 4-(4-aminophenyl)sulfonylaniline;sulfuric acid 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl ester
Molecular formula	`C38H66N2O19S2, C8H18S`
SMILES	`C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)N.C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOS(=O)(=O)O)O, CC(C)(C)SC(C)(C)C`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`b9233987-3489-4cff-a7fb-b0352944185a`	di-tert-butyl sulphide

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	di-tert-butyl sulphide	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=di-tert-butylsulphide\|\|dimension=Environmental > media=Air > indoor=Unknown; cas=107-47-1; added Common Chemistry CAS names as altLabel: 2,2,4,4-Tetramethyl-3-thiapentane, 2,2′-Thiobis[2-methylpropane], 2-(<em>tert</em>-Butylsulfanyl)-2-methylpropane, 2-<em>tert</em>-Butylsulfanyl-2-methylpropane, <em>tert</em>-Butyl sulfide, Bis(1,1-dimethylethyl) sulfide, Bis(<em>tert</em>-butyl) sulfide, Di-<em>tert</em>-butyl sulfide, NSC 4549, Propane, 2,2′-thiobis[2-methyl-; object_uuid=fo-dd912831bd18aa44
`cas_match_labels`	1	`—`	consensus_match	group_key=di-tert-butylsulphide\|\|dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'107-47-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-dd912831bd18aa44: {'107-47-1': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Air
strata	Ground level
population_density	Urban (>1000 people/square mile)

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '2,2,4,4-Tetramethyl-3-thiapentane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:107-47-1', 'https://commonchemistry.cas.org/detail?cas_rn=107-47-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2,2′-Thiobis[2-methylpropane]', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:107-47-1', 'https://commonchemistry.cas.org/detail?cas_rn=107-47-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-(<em>tert</em>-Butylsulfanyl)-2-methylpropane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:107-47-1', 'https://commonchemistry.cas.org/detail?cas_rn=107-47-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-<em>tert</em>-Butylsulfanyl-2-methylpropane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:107-47-1', 'https://commonchemistry.cas.org/detail?cas_rn=107-47-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>tert</em>-Butyl sulfide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:107-47-1', 'https://commonchemistry.cas.org/detail?cas_rn=107-47-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Bis(1,1-dimethylethyl) sulfide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:107-47-1', 'https://commonchemistry.cas.org/detail?cas_rn=107-47-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Bis(<em>tert</em>-butyl) sulfide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:107-47-1', 'https://commonchemistry.cas.org/detail?cas_rn=107-47-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Di-<em>tert</em>-butyl sulfide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:107-47-1', 'https://commonchemistry.cas.org/detail?cas_rn=107-47-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 4549', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:107-47-1', 'https://commonchemistry.cas.org/detail?cas_rn=107-47-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Propane, 2,2′-thiobis[2-methyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:107-47-1', 'https://commonchemistry.cas.org/detail?cas_rn=107-47-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=di-tert-butylsulphide\|\|dimension=Environmental > media=Air > indoor=Unknown; cas=107-47-1; added Common Chemistry CAS names as altLabel: 2,2,4,4-Tetramethyl-3-thiapentane, 2,2′-Thiobis[2-methylpropane], 2-(<em>tert</em>-Butylsulfanyl)-2-methylpropane, 2-<em>tert</em>-Butylsulfanyl-2-methylpropane, <em>tert</em>-Butyl sulfide, Bis(1,1-dimethylethyl) sulfide, Bis(<em>tert</em>-butyl) sulfide, Di-<em>tert</em>-butyl sulfide, NSC 4549, Propane, 2,2′-thiobis[2-methyl-; object_uuid=fo-dd912831bd18aa44
`cas_match_labels`	`None`	`{'107-47-1': 'exactMatch'}`	group_key=di-tert-butylsulphide\|\|dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'107-47-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-dd912831bd18aa44: {'107-47-1': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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