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3-(3-tert-butylphenyl)-2-methylpropanal

UUID e2c61825-0959-4c64-af57-39d3f7eb2dd0
Flow Object IDfo-e595f3ce5bc0e29c
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 62518-65-4
EC Numbers 263-580-6
prefLabel
Language Value Provenance
en 3-(3-tert-butylphenyl)-2-methylpropanal
altLabel ⓘ
Language Value Provenance
en 3-(1,1-Dimethylethyl)-α-methylbenzenepropanal
en 3-(3-<em>tert</em>-Butylphenyl)-2-methylpropanal
en 3-(3-Tertbutylphenyl)-2-methylpropanal
en Benzenepropanal, 3-(1,1-dimethylethyl)-α-methyl-
References
Shared Properties
Predicate Value
InChIKey CQCKNPUKBOITAX-UHFFFAOYSA-N, GLZRHVTZLDNUQP-NSHDSACASA-N, GLZRHVTZLDNUQP-UHFFFAOYSA-N
InChI InChI=1S/C11H24/c1-5-7-11(6-2)9-8-10(3)4/h10-11H,5-9H2,1-4H3, InChI=1S/C14H20O/c1-11(10-15)8-12-6-5-7-13(9-12)14(2,3)4/h5-7,9-11H,8H2,1-4H3, InChI=1S/C14H20O/c1-11(10-15)8-12-6-5-7-13(9-12)14(2,3)4/h5-7,9-11H,8H2,1-4H3/t11-/m0/s1
IUPAC name (2S)-3-(3-tert-butylphenyl)-2-methyl-propanal, (2S)-3-(3-tert-butylphenyl)-2-methyl-propionaldehyde, (2S)-3-(3-tert-butylphenyl)-2-methylpropanal, 3-(3-tert-butylphenyl)-2-methyl-propanal, 3-(3-tert-butylphenyl)-2-methyl-propionaldehyde, 3-(3-tert-butylphenyl)-2-methylpropanal, 5-ethyl-2-methyl-octane, 5-ethyl-2-methyloctane
Molecular formula C11H24, C14H20O
SMILES CC(CC1=CC(=CC=C1)C(C)(C)C)C=O, CCCC(CC)CCC(C)C, C[C@@H](CC1=CC(=CC=C1)C(C)(C)C)C=O

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 e2c61825-0959-4c64-af57-39d3f7eb2dd0 3-(3-tert-butylphenyl)-2-methylpropanal

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 3-(3-tert-butylphenyl)-2-methylpropanal Emissions/Emissions to water/Emissions to water, unspecified 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=3-(3-tert-butylphenyl)-2-methylpropanal||dimension=Environmental > media=Water > water_body=Surface water; cas=62518-65-4; added Common Chemistry CAS names as altLabel: 3-(1,1-Dimethylethyl)-α-methylbenzenepropanal, 3-(3-<em>tert</em>-Butylphenyl)-2-methylpropanal, 3-(3-Tertbutylphenyl)-2-methylpropanal, Benzenepropanal, 3-(1,1-dimethylethyl)-α-methyl-; object_uuid=fo-e595f3ce5bc0e29c
cas_match_labels 1 — consensus_match group_key=3-(3-tert-butylphenyl)-2-methylpropanal||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory', 'pubchem']; cas_sources={'62518-65-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e595f3ce5bc0e29c: {'62518-65-4': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
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cas_match_labels None {'62518-65-4': 'exactMatch'} group_key=3-(3-tert-butylphenyl)-2-methylpropanal||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory', 'pubchem']; cas_sources={'62518-65-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e595f3ce5bc0e29c: {'62518-65-4': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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