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Heptanoic Acid, Ester With 2,2-dimethyl-1,3-propanediol

UUID d2a6a36c-6709-4abb-a78e-18a440dfbd9b
Deprecated yes
Replaced By 42ca8924-7eae-40a3-bd01-277b9b708753
Flow Object IDfo-12f7faa94458a409
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 68855-18-5
EC Numbers 272-469-1
prefLabel
Language Value Provenance
en Heptanoic Acid, Ester With 2,2-dimethyl-1,3-propanediol
altLabel ⓘ
Language Value Provenance
en Truprotect Sun
References
Shared Properties
Predicate Value
InChIKey NRTKYSGFUISGRQ-UHFFFAOYSA-N, OPTYCEAUVSDMAT-UHFFFAOYSA-N, SKSQMTDHWXDWFS-UHFFFAOYSA-N, VRYUGRNJSPQWJC-UHFFFAOYSA-N
InChI InChI=1S/C12H24O3/c1-4-5-6-7-8-11(14)15-10-12(2,3)9-13/h13H,4-10H2,1-3H3, InChI=1S/C19H14N2O2/c1-22-17-8-4-7-15(12-17)18-20-21-19(23-18)16-10-9-13-5-2-3-6-14(13)11-16/h2-12H,1H3, InChI=1S/C19H36O4/c1-5-7-9-11-13-17(20)22-15-19(3,4)16-23-18(21)14-12-10-8-6-2/h5-16H2,1-4H3, InChI=1S/C7H14O2.C5H12O2/c1-2-3-4-5-6-7(8)9;1-5(2,3-6)4-7/h2-6H2,1H3,(H,8,9);6-7H,3-4H2,1-2H3
IUPAC name (2,2-dimethyl-3-oxidanyl-propyl) heptanoate, (3-heptanoyloxy-2,2-dimethyl-propyl) heptanoate, (3-heptanoyloxy-2,2-dimethylpropyl) heptanoate, (3-hydroxy-2,2-dimethyl-propyl) heptanoate, (3-hydroxy-2,2-dimethylpropyl) heptanoate, 2,2-dimethylpropane-1,3-diol;enanthic acid, 2,2-dimethylpropane-1,3-diol;heptanoic acid, 2-(3-methoxyphenyl)-5-(2-naphthalenyl)-1,3,4-oxadiazole, 2-(3-methoxyphenyl)-5-(2-naphthyl)-1,3,4-oxadiazole, 2-(3-methoxyphenyl)-5-naphthalen-2-yl-1,3,4-oxadiazole, enanthic acid (3-enanthyloxy-2,2-dimethyl-propyl) ester, enanthic acid (3-hydroxy-2,2-dimethyl-propyl) ester, heptanoic acid (3-hydroxy-2,2-dimethylpropyl) ester, heptanoic acid [2,2-dimethyl-3-(1-oxoheptoxy)propyl] ester
Molecular formula C12H24O3, C12H26O4, C19H14N2O2, C19H36O4
SMILES CCCCCCC(=O)O.CC(C)(CO)CO, CCCCCCC(=O)OCC(C)(C)CO, CCCCCCC(=O)OCC(C)(C)COC(=O)CCCCCC, COC1=CC=CC(=C1)C2=NN=C(O2)C3=CC4=CC=CC=C4C=C3

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 d2a6a36c-6709-4abb-a78e-18a440dfbd9b heptanoic acid, ester with 2,2-dimethyl-1,3-propanediol

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=heptanoicacid,esterwith2,2-dimethyl-1,3-propanediol||dimension=Environmental > media=Ground > geography=Agricultural; cas=68855-18-5; added Common Chemistry CAS names as altLabel: Truprotect Sun; object_uuid=fo-12f7faa94458a409
cas_match_labels 1 — consensus_match group_key=heptanoicacid,esterwith2,2-dimethyl-1,3-propanediol||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'68855-18-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-12f7faa94458a409: {'68855-18-5': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': 'Truprotect Sun', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68855-18-5', 'https://commonchemistry.cas.org/detail?cas_rn=68855-18-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=heptanoicacid,esterwith2,2-dimethyl-1,3-propanediol||dimension=Environmental > media=Ground > geography=Agricultural; cas=68855-18-5; added Common Chemistry CAS names as altLabel: Truprotect Sun; object_uuid=fo-12f7faa94458a409
cas_match_labels None {'68855-18-5': 'exactMatch'} group_key=heptanoicacid,esterwith2,2-dimethyl-1,3-propanediol||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'68855-18-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-12f7faa94458a409: {'68855-18-5': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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