P-isopropylphenyl Isocyanate

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P-isopropylphenyl Isocyanate

UUID 1a804ff3-0c93-40f5-acbf-352f5a3e2ecb

Flow Object ID fo-54df4b2e42857ffb

Source EF 3.1

Context Environmental → Ground → Unknown

CAS Numbers 31027-31-3

EC Numbers 250-439-9

prefLabel

Language	Value	Provenance
`en`	`P-isopropylphenyl Isocyanate`

altLabel ⓘ

Language	Value	Provenance
`en`	`1-Isocyanato-4-(1-methylethyl)benzene`
`en`	`1-Isocyanato-4-(propan-2-yl)benzene`
`en`	`1-Isocyanato-4-isopropylbenzene`
`en`	`1-Isocyanato-4-propan-2-ylbenzene`
`en`	`4-(1-Methylethyl)phenylisocyanate`
`en`	`4-Isopropylphenyl isocyanate`
`en`	`<em>p</em>-Cumenyl isocyanate`
`en`	`<em>p</em>-Isopropylphenyl isocyanate`
`en`	`Benzene, 1-isocyanato-4-(1-methylethyl)-`
`en`	`Isocyanic acid, <em>p</em>-isopropylphenyl ester`

References

Shared Properties

Predicate	Value
InChIKey	`DAHYJSFUKJLEEJ-UHFFFAOYSA-N, DHWHLPMTSZMBIP-UHFFFAOYSA-N, PJVRNNRZWASOIT-UHFFFAOYSA-N`
InChI	`InChI=1S/C10H11NO/c1-8(2)9-3-5-10(6-4-9)11-7-12/h3-6,8H,1-2H3, InChI=1S/C22H18O2/c1-14-17-8-5-6-10-20(17)21(13-24-15(2)23)22-18(14)12-11-16-7-3-4-9-19(16)22/h3-12H,13H2,1-2H3, InChI=1S/C9H5BrClN/c10-7-3-1-2-6-8(11)4-5-12-9(6)7/h1-5H`
IUPAC name	`(7-methylbenzo[a]anthracen-12-yl)methyl acetate, (7-methylbenzo[a]anthracen-12-yl)methyl ethanoate, 1-isocyanato-4-isopropyl-benzene, 1-isocyanato-4-propan-2-yl-benzene, 1-isocyanato-4-propan-2-ylbenzene, 8-bromanyl-4-chloranyl-quinoline, 8-bromo-4-chloro-quinoline, 8-bromo-4-chloroquinoline, acetic acid (7-methyl-12-benzo[a]anthracenyl)methyl ester, acetic acid (7-methylbenz[a]anthracen-12-yl)methyl ester`
Molecular formula	`C10H11NO, C22H18O2, C9H5BrClN`
SMILES	`C1=CC2=C(C=CN=C2C(=C1)Br)Cl, CC(C)C1=CC=C(C=C1)N=C=O, CC1=C2C=CC3=CC=CC=C3C2=C(C4=CC=CC=C14)COC(=O)C`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`1a804ff3-0c93-40f5-acbf-352f5a3e2ecb`	p-isopropylphenyl isocyanate

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	p-isopropylphenyl isocyanate	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=p-isopropylphenylisocyanate\|\|dimension=Environmental > media=Ground > geography=Unknown; cas=31027-31-3; added Common Chemistry CAS names as altLabel: 1-Isocyanato-4-(1-methylethyl)benzene, 1-Isocyanato-4-(propan-2-yl)benzene, 1-Isocyanato-4-isopropylbenzene, 1-Isocyanato-4-propan-2-ylbenzene, 4-(1-Methylethyl)phenylisocyanate, 4-Isopropylphenyl isocyanate, <em>p</em>-Cumenyl isocyanate, <em>p</em>-Isopropylphenyl isocyanate, Benzene, 1-isocyanato-4-(1-methylethyl)-, Isocyanic acid, <em>p</em>-isopropylphenyl ester; object_uuid=fo-54df4b2e42857ffb
`cas_match_labels`	1	`—`	consensus_match	group_key=p-isopropylphenylisocyanate\|\|dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'31027-31-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-54df4b2e42857ffb: {'31027-31-3': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Ground
geography	Unknown

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '1-Isocyanato-4-(1-methylethyl)benzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:31027-31-3', 'https://commonchemistry.cas.org/detail?cas_rn=31027-31-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-Isocyanato-4-(propan-2-yl)benzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:31027-31-3', 'https://commonchemistry.cas.org/detail?cas_rn=31027-31-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-Isocyanato-4-isopropylbenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:31027-31-3', 'https://commonchemistry.cas.org/detail?cas_rn=31027-31-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-Isocyanato-4-propan-2-ylbenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:31027-31-3', 'https://commonchemistry.cas.org/detail?cas_rn=31027-31-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-(1-Methylethyl)phenylisocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:31027-31-3', 'https://commonchemistry.cas.org/detail?cas_rn=31027-31-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-Isopropylphenyl isocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:31027-31-3', 'https://commonchemistry.cas.org/detail?cas_rn=31027-31-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>p</em>-Cumenyl isocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:31027-31-3', 'https://commonchemistry.cas.org/detail?cas_rn=31027-31-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>p</em>-Isopropylphenyl isocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:31027-31-3', 'https://commonchemistry.cas.org/detail?cas_rn=31027-31-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzene, 1-isocyanato-4-(1-methylethyl)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:31027-31-3', 'https://commonchemistry.cas.org/detail?cas_rn=31027-31-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isocyanic acid, <em>p</em>-isopropylphenyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:31027-31-3', 'https://commonchemistry.cas.org/detail?cas_rn=31027-31-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=p-isopropylphenylisocyanate\|\|dimension=Environmental > media=Ground > geography=Unknown; cas=31027-31-3; added Common Chemistry CAS names as altLabel: 1-Isocyanato-4-(1-methylethyl)benzene, 1-Isocyanato-4-(propan-2-yl)benzene, 1-Isocyanato-4-isopropylbenzene, 1-Isocyanato-4-propan-2-ylbenzene, 4-(1-Methylethyl)phenylisocyanate, 4-Isopropylphenyl isocyanate, <em>p</em>-Cumenyl isocyanate, <em>p</em>-Isopropylphenyl isocyanate, Benzene, 1-isocyanato-4-(1-methylethyl)-, Isocyanic acid, <em>p</em>-isopropylphenyl ester; object_uuid=fo-54df4b2e42857ffb
`cas_match_labels`	`None`	`{'31027-31-3': 'exactMatch'}`	group_key=p-isopropylphenylisocyanate\|\|dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'31027-31-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-54df4b2e42857ffb: {'31027-31-3': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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