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2,2,4-trimethylpentane

UUID 0d7a13ca-6556-11dd-ad8b-0800200c9a66
Deprecated yes
Replaced By 0d7a13c9-6556-11dd-ad8b-0800200c9a66
Flow Object IDfo-f11f6d748ccb5503
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 540-84-1
EC Numbers 208-759-1
prefLabel
Language Value Provenance
en 2,2,4-trimethylpentane
altLabel ⓘ
Language Value Provenance
en (CH3)2CHCH2C(CH3)3
en Isobutyltrimethylmethane
en iso-octane
en 2,4,4-Trimethylpentane
en <em>iso</em>-Octane
en Isooctane
en Kyowasol C 800
en NSC 39117
en Pentane, 2,2,4-trimethyl-
Definitions
Language Value Provenance
en An alkane that consists of pentane bearing two methyl substituents at position 2 and a single methyl substituent at position 4.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey NHTMVDHEPJAVLT-UHFFFAOYSA-N
InChI InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3
IUPAC name 2,2,4-trimethylpentane
Molecular formula C8H18
Molecular mass 114.232
Monoisotopic mass 114.14085
SMILES CC(C)CC(C)(C)C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 0d7a13ca-6556-11dd-ad8b-0800200c9a66 2,2,4-trimethylpentane

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-trimethylpentane||dimension=Environmental > media=Air > strata=Unknown; cas=540-84-1; added Common Chemistry CAS names as altLabel: 2,4,4-Trimethylpentane, <em>iso</em>-Octane, Isooctane, Kyowasol C 800, NSC 39117, Pentane, 2,2,4-trimethyl-; object_uuid=fo-f11f6d748ccb5503
cas_match_labels 1 — consensus_match group_key=2,2,4-trimethylpentane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'540-84-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f11f6d748ccb5503: {'540-84-1': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '(CH3)2CHCH2C(CH3)3', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(CH3)2CHCH2C(CH3)3', 'http://purl.obolibrary.org/obo/CHEBI_62805', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Isobutyltrimethylmethane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Isobutyltrimethylmethane', 'http://purl.obolibrary.org/obo/CHEBI_62805', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'iso-octane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:iso-octane', 'http://purl.obolibrary.org/obo/CHEBI_62805', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '(CH3)2CHCH2C(CH3)3', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(CH3)2CHCH2C(CH3)3', 'http://purl.obolibrary.org/obo/CHEBI_62805', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Isobutyltrimethylmethane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Isobutyltrimethylmethane', 'http://purl.obolibrary.org/obo/CHEBI_62805', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'iso-octane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:iso-octane', 'http://purl.obolibrary.org/obo/CHEBI_62805', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2,4,4-Trimethylpentane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:540-84-1', 'https://commonchemistry.cas.org/detail?cas_rn=540-84-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>iso</em>-Octane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:540-84-1', 'https://commonchemistry.cas.org/detail?cas_rn=540-84-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isooctane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:540-84-1', 'https://commonchemistry.cas.org/detail?cas_rn=540-84-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Kyowasol C 800', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:540-84-1', 'https://commonchemistry.cas.org/detail?cas_rn=540-84-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 39117', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:540-84-1', 'https://commonchemistry.cas.org/detail?cas_rn=540-84-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Pentane, 2,2,4-trimethyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:540-84-1', 'https://commonchemistry.cas.org/detail?cas_rn=540-84-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=2,2,4-trimethylpentane||dimension=Environmental > media=Air > strata=Unknown; cas=540-84-1; added Common Chemistry CAS names as altLabel: 2,4,4-Trimethylpentane, <em>iso</em>-Octane, Isooctane, Kyowasol C 800, NSC 39117, Pentane, 2,2,4-trimethyl-; object_uuid=fo-f11f6d748ccb5503
cas_match_labels None {'540-84-1': 'exactMatch'} group_key=2,2,4-trimethylpentane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'540-84-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f11f6d748ccb5503: {'540-84-1': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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