Tert-dodecylmercaptan

← Back to consensus flows

UUID a182fa62-c45d-43b5-af2e-8e1a3c099bca

Flow Object ID fo-6fe5ee4201936c1a

Source EF 3.1

Context Environmental → Ground → Unknown

CAS Numbers 25103-58-6

EC Numbers 246-619-1

prefLabel

Language	Value	Provenance
`en`	`Tert-dodecylmercaptan`

altLabel ⓘ

Language	Value	Provenance
`en`	`<em>tert</em>-Dodecanethiol`
`en`	`<em>tert</em>-Dodecyl mercaptan`
`en`	`<em>tert</em>-Dodecyl thiol`
`en`	`<em>tert</em>-Lauryl mercaptan`
`en`	`Sulfole 120`
`en`	`TDM`
`en`	`t-DDM`

References

Shared Properties

Predicate	Value
InChIKey	`BGQHJKADBZPYGJ-UHFFFAOYSA-N, CXUHLUIXDGOURI-UHFFFAOYSA-N, DJTUYAFJAGLQCK-UHFFFAOYSA-N, FRQQKWGDKVGLFI-UHFFFAOYSA-N, WNAHIZMDSQCWRP-UHFFFAOYSA-N, YAJYJWXEWKRTPO-UHFFFAOYSA-N`
InChI	`InChI=1S/C12H26S/c1-10(2,3)8-12(7,13)9-11(4,5)6/h13H,8-9H2,1-7H3, InChI=1S/C12H26S/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3, InChI=1S/C12H26S/c1-4-5-6-7-8-9-10-11-12(2,3)13/h13H,4-11H2,1-3H3, InChI=1S/C12H26S/c1-4-7-10-12(13,9-6-3)11-8-5-2/h13H,4-11H2,1-3H3, InChI=1S/C12H26S/c1-9(2)10(3,4)11(5,6)12(7,8)13/h9,13H,1-8H3, InChI=1S/C9H9BrO2/c1-6-3-4-7(8(10)5-6)9(11)12-2/h3-5H,1-2H3`
IUPAC name	`1-dodecanethiol, 2,2,4,6,6-pentamethyl-4-heptanethiol, 2,2,4,6,6-pentamethylheptane-4-thiol, 2,3,3,4,4,5-hexamethyl-2-hexanethiol, 2,3,3,4,4,5-hexamethylhexane-2-thiol, 2-bromo-4-methyl-benzoic acid methyl ester, 2-bromo-4-methylbenzoic acid methyl ester, 2-methyl-2-undecanethiol, 2-methylundecane-2-thiol, 5-propyl-5-nonanethiol, 5-propylnonane-5-thiol, dodecane-1-thiol, methyl 2-bromanyl-4-methyl-benzoate, methyl 2-bromo-4-methyl-benzoate, methyl 2-bromo-4-methylbenzoate`
Molecular formula	`C12H26S, C9H9BrO2`
SMILES	`CC(C)(C)CC(C)(CC(C)(C)C)S, CC(C)C(C)(C)C(C)(C)C(C)(C)S, CC1=CC(=C(C=C1)C(=O)OC)Br, CCCCC(CCC)(CCCC)S, CCCCCCCCCC(C)(C)S, CCCCCCCCCCCCS`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`a182fa62-c45d-43b5-af2e-8e1a3c099bca`	tert-dodecylmercaptan

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	tert-dodecylmercaptan	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=tert-dodecylmercaptan\|\|dimension=Environmental > media=Water > water_body=Ocean; cas=25103-58-6; added Common Chemistry CAS names as altLabel: <em>tert</em>-Dodecanethiol, <em>tert</em>-Dodecyl mercaptan, <em>tert</em>-Dodecyl thiol, <em>tert</em>-Lauryl mercaptan, Sulfole 120, TDM, t-DDM; object_uuid=fo-6fe5ee4201936c1a
`cas_match_labels`	1	`—`	consensus_match	group_key=tert-dodecylmercaptan\|\|dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'25103-58-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6fe5ee4201936c1a: {'25103-58-6': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Ground
geography	Unknown

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '<em>tert</em>-Dodecanethiol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:25103-58-6', 'https://commonchemistry.cas.org/detail?cas_rn=25103-58-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>tert</em>-Dodecyl mercaptan', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:25103-58-6', 'https://commonchemistry.cas.org/detail?cas_rn=25103-58-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>tert</em>-Dodecyl thiol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:25103-58-6', 'https://commonchemistry.cas.org/detail?cas_rn=25103-58-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>tert</em>-Lauryl mercaptan', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:25103-58-6', 'https://commonchemistry.cas.org/detail?cas_rn=25103-58-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Sulfole 120', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:25103-58-6', 'https://commonchemistry.cas.org/detail?cas_rn=25103-58-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'TDM', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:25103-58-6', 'https://commonchemistry.cas.org/detail?cas_rn=25103-58-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 't-DDM', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:25103-58-6', 'https://commonchemistry.cas.org/detail?cas_rn=25103-58-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=tert-dodecylmercaptan\|\|dimension=Environmental > media=Water > water_body=Ocean; cas=25103-58-6; added Common Chemistry CAS names as altLabel: <em>tert</em>-Dodecanethiol, <em>tert</em>-Dodecyl mercaptan, <em>tert</em>-Dodecyl thiol, <em>tert</em>-Lauryl mercaptan, Sulfole 120, TDM, t-DDM; object_uuid=fo-6fe5ee4201936c1a
`cas_match_labels`	`None`	`{'25103-58-6': 'exactMatch'}`	group_key=tert-dodecylmercaptan\|\|dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'25103-58-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6fe5ee4201936c1a: {'25103-58-6': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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