2,2,4(or 2,4,4)-trimethylhexane-1,6-diisocyanate

← Back to consensus flows

2,2,4(or 2,4,4)-trimethylhexane-1,6-diisocyanate

UUID cb599691-7ee1-4a92-8e79-050a9b4c7110

Flow Object ID fo-5e7753f7a7dbed0d

Source EF 3.1

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

CAS Numbers 32052-51-0

EC Numbers 915-277-1

prefLabel

Language	Value	Provenance
`en`	`2,2,4(or 2,4,4)-trimethylhexane-1,6-diisocyanate`

altLabel ⓘ

Language	Value	Provenance
`en`	`1,6-Diisocyanato-2,2,4(2,4,4)-trimethylhexane`
`en`	`1,6-Diisocyanato-2,2,4(<em>or</em> 2,4,4)-trimethylhexane`
`en`	`1,6-Diisocyanato-2,2,4(or 2,4,4)-trimethylhexane`
`en`	`2,2(4),4-Trimethylhexane-1,6-diisocyaanate`
`en`	`2,2,4(2,4,4)-Trimethylhexyl-1,6-diisocyanate`
`en`	`2,2,4(<em>or</em> 2,4,4)-Trimethylhexamethylene diisocyanate`
`en`	`2,2,4(Or2,4,4)-trimethyl-1,6-hexamethylene diisocyanate`
`en`	`Hexane, 1,6-diisocyanato-2,2,4(<em>or</em> 2,4,4)-trimethyl-`
`en`	`Isocyanic acid, trimethylhexamethylene ester`
`en`	`TMDI`
`en`	`TMHDI`

References

Shared Properties

Predicate	Value
InChIKey	`ATOUXIOKEJWULN-UHFFFAOYSA-N, VZXPHDGHQXLXJC-UHFFFAOYSA-N, XLRHAAFCQUDHHF-UHFFFAOYSA-N`
InChI	`InChI=1S/2C11H18N2O2/c1-10(7-13-9-15)6-11(2,3)4-5-12-8-14;1-10(4-5-12-8-14)6-11(2,3)7-13-9-15/h2*10H,4-7H2,1-3H3, InChI=1S/C11H18N2O2/c1-10(11(2,3)13-9-15)6-4-5-7-12-8-14/h10H,4-7H2,1-3H3, InChI=1S/C11H18N2O2/c1-10(4-5-12-8-14)6-11(2,3)7-13-9-15/h10H,4-7H2,1-3H3`
IUPAC name	`1,6-diisocyanato-2,2,4-trimethyl-hexane, 1,6-diisocyanato-2,2,4-trimethyl-hexane;1,6-diisocyanato-2,4,4-trimethyl-hexane, 1,6-diisocyanato-2,2,4-trimethylhexane, 1,6-diisocyanato-2,2,4-trimethylhexane;1,6-diisocyanato-2,4,4-trimethylhexane, 1,6-diisocyanato-5,6-dimethyl-heptane, 1,6-diisocyanato-5,6-dimethylheptane`
Molecular formula	`C11H18N2O2, C22H36N4O4`
SMILES	`CC(CCCCN=C=O)C(C)(C)N=C=O, CC(CCN=C=O)CC(C)(C)CN=C=O, CC(CCN=C=O)CC(C)(C)CN=C=O.CC(CC(C)(C)CCN=C=O)CN=C=O`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`cb599691-7ee1-4a92-8e79-050a9b4c7110`	2,2,4(or 2,4,4)-trimethylhexane-1,6-diisocyanate

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	2,2,4(or 2,4,4)-trimethylhexane-1,6-diisocyanate	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=2,2,4(or2,4,4)-trimethylhexane-1,6-diisocyanate\|\|dimension=Environmental > media=Ground > geography=Unknown; cas=32052-51-0; added Common Chemistry CAS names as altLabel: 1,6-Diisocyanato-2,2,4(2,4,4)-trimethylhexane, 1,6-Diisocyanato-2,2,4(<em>or</em> 2,4,4)-trimethylhexane, 1,6-Diisocyanato-2,2,4(or 2,4,4)-trimethylhexane, 2,2(4),4-Trimethylhexane-1,6-diisocyaanate, 2,2,4(2,4,4)-Trimethylhexyl-1,6-diisocyanate, 2,2,4(<em>or</em> 2,4,4)-Trimethylhexamethylene diisocyanate, 2,2,4(Or2,4,4)-trimethyl-1,6-hexamethylene diisocyanate, Hexane, 1,6-diisocyanato-2,2,4(<em>or</em> 2,4,4)-trimethyl-, Isocyanic acid, trimethylhexamethylene ester, TMDI, TMHDI; object_uuid=fo-5e7753f7a7dbed0d
`cas_match_labels`	1	`—`	consensus_match	group_key=2,2,4(or2,4,4)-trimethylhexane-1,6-diisocyanate\|\|dimension=Environmental > media=Ground > geography=Unknown; group_sources=[]; cas_sources={'32052-51-0': []}; assigned CAS labels from group consensus; object_uuid=fo-5e7753f7a7dbed0d: {'32052-51-0': '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': '1,6-Diisocyanato-2,2,4(2,4,4)-trimethylhexane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:32052-51-0', 'https://commonchemistry.cas.org/detail?cas_rn=32052-51-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,6-Diisocyanato-2,2,4(<em>or</em> 2,4,4)-trimethylhexane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:32052-51-0', 'https://commonchemistry.cas.org/detail?cas_rn=32052-51-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,6-Diisocyanato-2,2,4(or 2,4,4)-trimethylhexane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:32052-51-0', 'https://commonchemistry.cas.org/detail?cas_rn=32052-51-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2,2(4),4-Trimethylhexane-1,6-diisocyaanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:32052-51-0', 'https://commonchemistry.cas.org/detail?cas_rn=32052-51-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2,2,4(2,4,4)-Trimethylhexyl-1,6-diisocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:32052-51-0', 'https://commonchemistry.cas.org/detail?cas_rn=32052-51-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2,2,4(<em>or</em> 2,4,4)-Trimethylhexamethylene diisocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:32052-51-0', 'https://commonchemistry.cas.org/detail?cas_rn=32052-51-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2,2,4(Or2,4,4)-trimethyl-1,6-hexamethylene diisocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:32052-51-0', 'https://commonchemistry.cas.org/detail?cas_rn=32052-51-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Hexane, 1,6-diisocyanato-2,2,4(<em>or</em> 2,4,4)-trimethyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:32052-51-0', 'https://commonchemistry.cas.org/detail?cas_rn=32052-51-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isocyanic acid, trimethylhexamethylene ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:32052-51-0', 'https://commonchemistry.cas.org/detail?cas_rn=32052-51-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'TMDI', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:32052-51-0', 'https://commonchemistry.cas.org/detail?cas_rn=32052-51-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'TMHDI', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:32052-51-0', 'https://commonchemistry.cas.org/detail?cas_rn=32052-51-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=2,2,4(or2,4,4)-trimethylhexane-1,6-diisocyanate\|\|dimension=Environmental > media=Ground > geography=Unknown; cas=32052-51-0; added Common Chemistry CAS names as altLabel: 1,6-Diisocyanato-2,2,4(2,4,4)-trimethylhexane, 1,6-Diisocyanato-2,2,4(<em>or</em> 2,4,4)-trimethylhexane, 1,6-Diisocyanato-2,2,4(or 2,4,4)-trimethylhexane, 2,2(4),4-Trimethylhexane-1,6-diisocyaanate, 2,2,4(2,4,4)-Trimethylhexyl-1,6-diisocyanate, 2,2,4(<em>or</em> 2,4,4)-Trimethylhexamethylene diisocyanate, 2,2,4(Or2,4,4)-trimethyl-1,6-hexamethylene diisocyanate, Hexane, 1,6-diisocyanato-2,2,4(<em>or</em> 2,4,4)-trimethyl-, Isocyanic acid, trimethylhexamethylene ester, TMDI, TMHDI; object_uuid=fo-5e7753f7a7dbed0d
`cas_match_labels`	`None`	`{'32052-51-0': 'exactMatch'}`	group_key=2,2,4(or2,4,4)-trimethylhexane-1,6-diisocyanate\|\|dimension=Environmental > media=Ground > geography=Unknown; group_sources=[]; cas_sources={'32052-51-0': []}; assigned CAS labels from group consensus; object_uuid=fo-5e7753f7a7dbed0d: {'32052-51-0': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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