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Propane-1,2,3-triyl Tris(3,5,5-trimethylhexanoate)

2D structure
UUID a11c06ae-e85e-475f-b6dc-ce20659638af
Deprecated yes
Replaced By 07f67f26-4217-44a3-a82d-99d46782bf05
Flow Object IDfo-ff8f0672c3a64108
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 56554-53-1
EC Numbers 260-257-1
prefLabel
Language Value Provenance
en Propane-1,2,3-triyl Tris(3,5,5-trimethylhexanoate)
altLabel ⓘ
Language Value Provenance
en Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester
References
Shared Properties
Predicate Value
InChIKey FOHDPKZXJXMQGV-UHFFFAOYSA-N, QNESDXMHQYMNGD-UHFFFAOYSA-N, VGCRRRJKYKKCPO-UHFFFAOYSA-N
InChI InChI=1S/C30H56O6/c1-21(16-28(4,5)6)13-25(31)34-19-24(36-27(33)15-23(3)18-30(10,11)12)20-35-26(32)14-22(2)17-29(7,8)9/h21-24H,13-20H2,1-12H3
IUPAC name Propane-1,2,3-triyl Tris(3,5,5-trimethylhexanoate)
Molecular formula C12H20O2, C13H22Cl2N4O3, C30H56O6
Molecular mass 353.25, 512.772
Monoisotopic mass 352.106896, 512.40769
SMILES CC(CC(=O)OCC(COC(=O)CC(C)CC(C)(C)C)OC(=O)CC(C)CC(C)(C)C)CC(C)(C)C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 a11c06ae-e85e-475f-b6dc-ce20659638af propane-1,2,3-triyl tris(3,5,5-trimethylhexanoate)

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=propane-1,2,3-triyltris(3,5,5-trimethylhexanoate)||dimension=Environmental > media=Water > water_body=Unknown; cas=56554-53-1; added Common Chemistry CAS names as altLabel: Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester; object_uuid=fo-ff8f0672c3a64108
cas_match_labels 1 — consensus_match group_key=propane-1,2,3-triyltris(3,5,5-trimethylhexanoate)||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'56554-53-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ff8f0672c3a64108: {'56554-53-1': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': 'Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:56554-53-1', 'https://commonchemistry.cas.org/detail?cas_rn=56554-53-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=propane-1,2,3-triyltris(3,5,5-trimethylhexanoate)||dimension=Environmental > media=Water > water_body=Unknown; cas=56554-53-1; added Common Chemistry CAS names as altLabel: Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester; object_uuid=fo-ff8f0672c3a64108
cas_match_labels None {'56554-53-1': 'exactMatch'} group_key=propane-1,2,3-triyltris(3,5,5-trimethylhexanoate)||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'56554-53-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ff8f0672c3a64108: {'56554-53-1': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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  "unit": "kg",
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  "input_datasets": [
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