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Methyl di-t-butyl hydroxyhydrocinnamate

UUID a32557e6-087d-4030-b9a5-e0dd38c8952f
Flow Object IDfo-c0f48ce66abb36fa
Source EF 3.1
Context Environmental → Water → Ocean
CAS Numbers 6386-38-5
EC Numbers 228-985-4
prefLabel
Language Value Provenance
en Methyl di-t-butyl hydroxyhydrocinnamate
altLabel ⓘ
Language Value Provenance
en methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
en 3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzenepropanoic acid methyl ester
en 3-(3,5-Di(<em>tert</em>-butyl)-4-hydroxyphenyl)propanoic acid methyl ester
en 3-(3,5-Di-<em>tert</em>-butyl-4-hydroxyphenyl)propionic acid methyl ester
en Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, methyl ester
en Fenozan 1
en Hydrocinnamic acid, 3,5-di-<em>tert</em>-butyl-4-hydroxy-, methyl ester
en Methyl (3,5-di-<em>tert</em>-butyl-4-hydroxyphenyl)propionate
en Methyl 3,5-di-<em>tert</em>-butyl-4-hydroxy-β-phenylpropionate
en Methyl 3,5-di-<em>tert</em>-butyl-4-hydroxyhydrocinnamate
en Methyl 3-(3,5-di-<em>tert</em>-butyl-4-hydroxyphenyl)propanoate
en Methyl 3-(3,5-di-<em>tert</em>-butyl-4-hydroxyphenyl)propionate
en Methyl 3-(3′,5′-di-<em>tert</em>-butyl-4′-hydroxyphenyl)propionate
en Methyl 3-(4-hydroxy-3,5-di-<em>tert</em>-butylphenyl)propionate
en Methyl β-(4-hydroxy-3,5-di-<em>tert</em>-butylphenyl)propanoate
en Methyl β-(4-hydroxy-3,5-di-<em>tert</em>-butylphenyl)propionate
en Methyl β-3,5-di-<em>tert</em>-butyl-4-hydroxyphenylpropionate
en Methylox
en Metilox
en Phenosan methyl ester
en Ralox 35
en Methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey PXMJCECEFTYEKE-UHFFFAOYSA-N
InChI InChI=1S/C18H28O3/c1-17(2,3)13-10-12(8-9-15(19)21-7)11-14(16(13)20)18(4,5)6/h10-11,20H,8-9H2,1-7H3
IUPAC name 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propionic acid methyl ester, 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid methyl ester, methyl 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoate, methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate, methyl 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoate
Molecular formula C18H28O3
Molecular mass 292.419
Monoisotopic mass 292.20384
SMILES CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OC, COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 a32557e6-087d-4030-b9a5-e0dd38c8952f methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate Emissions/Emissions to water/Emissions to sea water 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=methyl3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate||dimension=Environmental > media=Water > water_body=Surface water; cas=6386-38-5; added Common Chemistry CAS names as altLabel: 3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzenepropanoic acid methyl ester, 3-(3,5-Di(<em>tert</em>-butyl)-4-hydroxyphenyl)propanoic acid methyl ester, 3-(3,5-Di-<em>tert</em>-butyl-4-hydroxyphenyl)propionic acid methyl ester, Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, methyl ester, Fenozan 1, Hydrocinnamic acid, 3,5-di-<em>tert</em>-butyl-4-hydroxy-, methyl ester, Methyl (3,5-di-<em>tert</em>-butyl-4-hydroxyphenyl)propionate, Methyl 3,5-di-<em>tert</em>-butyl-4-hydroxy-β-phenylpropionate, Methyl 3,5-di-<em>tert</em>-butyl-4-hydroxyhydrocinnamate, Methyl 3-(3,5-di-<em>tert</em>-butyl-4-hydroxyphenyl)propanoate, Methyl 3-(3,5-di-<em>tert</em>-butyl-4-hydroxyphenyl)propionate, Methyl 3-(3′,5′-di-<em>tert</em>-butyl-4′-hydroxyphenyl)propionate, Methyl 3-(4-hydroxy-3,5-di-<em>tert</em>-butylphenyl)propionate, Methyl β-(4-hydroxy-3,5-di-<em>tert</em>-butylphenyl)propanoate, Methyl β-(4-hydroxy-3,5-di-<em>tert</em>-butylphenyl)propionate, Methyl β-3,5-di-<em>tert</em>-butyl-4-hydroxyphenylpropionate, Methylox, Metilox, Phenosan methyl ester, Ralox 35; object_uuid=fo-c0f48ce66abb36fa
cas_match_labels 1 — consensus_match group_key=methyl3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'6386-38-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c0f48ce66abb36fa: {'6386-38-5': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyOcean

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': 'methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate', 'http://purl.obolibrary.org/obo/CHEBI_183289', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': 'methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate', 'http://purl.obolibrary.org/obo/CHEBI_183289', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzenepropanoic acid methyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6386-38-5', 'https://commonchemistry.cas.org/detail?cas_rn=6386-38-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-(3,5-Di(<em>tert</em>-butyl)-4-hydroxyphenyl)propanoic acid methyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6386-38-5', 'https://commonchemistry.cas.org/detail?cas_rn=6386-38-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-(3,5-Di-<em>tert</em>-butyl-4-hydroxyphenyl)propionic acid methyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6386-38-5', 'https://commonchemistry.cas.org/detail?cas_rn=6386-38-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, methyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6386-38-5', 'https://commonchemistry.cas.org/detail?cas_rn=6386-38-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Fenozan 1', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6386-38-5', 'https://commonchemistry.cas.org/detail?cas_rn=6386-38-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Hydrocinnamic acid, 3,5-di-<em>tert</em>-butyl-4-hydroxy-, methyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6386-38-5', 'https://commonchemistry.cas.org/detail?cas_rn=6386-38-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Methyl (3,5-di-<em>tert</em>-butyl-4-hydroxyphenyl)propionate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6386-38-5', 'https://commonchemistry.cas.org/detail?cas_rn=6386-38-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Methyl 3,5-di-<em>tert</em>-butyl-4-hydroxy-β-phenylpropionate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6386-38-5', 'https://commonchemistry.cas.org/detail?cas_rn=6386-38-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Methyl 3,5-di-<em>tert</em>-butyl-4-hydroxyhydrocinnamate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6386-38-5', 'https://commonchemistry.cas.org/detail?cas_rn=6386-38-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Methyl 3-(3,5-di-<em>tert</em>-butyl-4-hydroxyphenyl)propanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6386-38-5', 'https://commonchemistry.cas.org/detail?cas_rn=6386-38-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Methyl 3-(3,5-di-<em>tert</em>-butyl-4-hydroxyphenyl)propionate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6386-38-5', 'https://commonchemistry.cas.org/detail?cas_rn=6386-38-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Methyl 3-(3′,5′-di-<em>tert</em>-butyl-4′-hydroxyphenyl)propionate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6386-38-5', 'https://commonchemistry.cas.org/detail?cas_rn=6386-38-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Methyl 3-(4-hydroxy-3,5-di-<em>tert</em>-butylphenyl)propionate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6386-38-5', 'https://commonchemistry.cas.org/detail?cas_rn=6386-38-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Methyl β-(4-hydroxy-3,5-di-<em>tert</em>-butylphenyl)propanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6386-38-5', 'https://commonchemistry.cas.org/detail?cas_rn=6386-38-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Methyl β-(4-hydroxy-3,5-di-<em>tert</em>-butylphenyl)propionate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6386-38-5', 'https://commonchemistry.cas.org/detail?cas_rn=6386-38-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Methyl β-3,5-di-<em>tert</em>-butyl-4-hydroxyphenylpropionate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6386-38-5', 'https://commonchemistry.cas.org/detail?cas_rn=6386-38-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Methylox', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6386-38-5', 'https://commonchemistry.cas.org/detail?cas_rn=6386-38-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Metilox', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6386-38-5', 'https://commonchemistry.cas.org/detail?cas_rn=6386-38-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Phenosan methyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6386-38-5', 'https://commonchemistry.cas.org/detail?cas_rn=6386-38-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ralox 35', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6386-38-5', 'https://commonchemistry.cas.org/detail?cas_rn=6386-38-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=methyl3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate||dimension=Environmental > media=Water > water_body=Surface water; cas=6386-38-5; added Common Chemistry CAS names as altLabel: 3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzenepropanoic acid methyl ester, 3-(3,5-Di(<em>tert</em>-butyl)-4-hydroxyphenyl)propanoic acid methyl ester, 3-(3,5-Di-<em>tert</em>-butyl-4-hydroxyphenyl)propionic acid methyl ester, Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, methyl ester, Fenozan 1, Hydrocinnamic acid, 3,5-di-<em>tert</em>-butyl-4-hydroxy-, methyl ester, Methyl (3,5-di-<em>tert</em>-butyl-4-hydroxyphenyl)propionate, Methyl 3,5-di-<em>tert</em>-butyl-4-hydroxy-β-phenylpropionate, Methyl 3,5-di-<em>tert</em>-butyl-4-hydroxyhydrocinnamate, Methyl 3-(3,5-di-<em>tert</em>-butyl-4-hydroxyphenyl)propanoate, Methyl 3-(3,5-di-<em>tert</em>-butyl-4-hydroxyphenyl)propionate, Methyl 3-(3′,5′-di-<em>tert</em>-butyl-4′-hydroxyphenyl)propionate, Methyl 3-(4-hydroxy-3,5-di-<em>tert</em>-butylphenyl)propionate, Methyl β-(4-hydroxy-3,5-di-<em>tert</em>-butylphenyl)propanoate, Methyl β-(4-hydroxy-3,5-di-<em>tert</em>-butylphenyl)propionate, Methyl β-3,5-di-<em>tert</em>-butyl-4-hydroxyphenylpropionate, Methylox, Metilox, Phenosan methyl ester, Ralox 35; object_uuid=fo-c0f48ce66abb36fa
cas_match_labels None {'6386-38-5': 'exactMatch'} group_key=methyl3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'6386-38-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c0f48ce66abb36fa: {'6386-38-5': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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    "water_body": "Ocean"
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  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
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      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 0.10817
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