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Di-ester Reaction Products Of Linear And Branched Octyl Alcohol With Hexanedioic Acid

UUID a57eda81-00f6-4aa9-b47a-40662f98b32c
Deprecated yes
Replaced By 06647e7a-1fd9-4a1e-8987-1a603b4f837b
Flow Object IDfo-dece7aed9e3bee7f
Source EF 3.1
Context Environmental → Ground → Unknown
CAS Numbers 1330-86-5
EC Numbers 215-553-5
prefLabel
Language Value Provenance
en Di-ester Reaction Products Of Linear And Branched Octyl Alcohol With Hexanedioic Acid
altLabel ⓘ
Language Value Provenance
en Adipic acid, diisooctyl ester
en Adipol 10A
en DB 32
en DB 32 (ester)
en DIOA
en Diisooctyl adipate
en Hatcol 2906
en Hexanedioic acid, 1,6-diisooctyl ester
en Hexanedioic acid, diisooctyl ester
en Isooctyl alcohol, adipate (2:1)
References
Shared Properties
Predicate Value
InChIKey AZXBHGKSTNMAMK-UHFFFAOYSA-N, BXGUUVBSRYSHDJ-UHFFFAOYSA-N, CJFLBOQMPJCWLR-UHFFFAOYSA-N, NLDIKPYEHYRZBW-UHFFFAOYSA-L, RTUMJAGKSDIHOW-UHFFFAOYSA-N
InChI InChI=1S/C10H14O/c1-7(2)10-8(3)5-4-6-9(10)11/h4-7,11H,1-3H3, InChI=1S/C20H38O4.2CH4/c1-3-5-7-9-13-17-23-19(21)15-11-12-16-20(22)24-18-14-10-8-6-4-2;;/h3-18H2,1-2H3;2*1H4, InChI=1S/C22H42O4/c1-18(2)12-7-5-9-15-22(21(25)26,17-11-14-20(23)24)16-10-6-8-13-19(3)4/h18-19H,5-17H2,1-4H3,(H,23,24)(H,25,26)/p-2, InChI=1S/C22H42O4/c1-19(2)13-7-5-11-17-25-21(23)15-9-10-16-22(24)26-18-12-6-8-14-20(3)4/h19-20H,5-18H2,1-4H3, InChI=1S/C22H42O4/c1-5-7-9-11-15-19(3)25-21(23)17-13-14-18-22(24)26-20(4)16-12-10-8-6-2/h19-20H,5-18H2,1-4H3
IUPAC name 2,2-bis(6-methylheptyl)adipate, 2,2-bis(6-methylheptyl)hexanedioate, 2-isopropyl-3-methyl-phenol, 3-methyl-2-propan-2-yl-phenol, 3-methyl-2-propan-2-ylphenol, adipic acid bis(1-methylheptyl) ester, adipic acid bis(6-methylheptyl) ester, adipic acid diheptyl ester;methane, bis(1-methylheptyl) hexanedioate, bis(6-methylheptyl) hexanedioate, diheptyl hexanedioate;methane, dioctan-2-yl hexanedioate, hexanedioic acid bis(6-methylheptyl) ester, hexanedioic acid diheptyl ester;methane, hexanedioic acid dioctan-2-yl ester
Molecular formula C10H14O, C22H40O4-2, C22H42O4, C22H46O4
Molecular mass 374.606
Monoisotopic mass 374.33961
SMILES C.C.CCCCCCCOC(=O)CCCCC(=O)OCCCCCCC, CC(C)CCCCCC(CCCCCC(C)C)(CCCC(=O)[O-])C(=O)[O-], CC(C)CCCCCOC(=O)CCCCC(=O)OCCCCCC(C)C, CC1=C(C(=CC=C1)O)C(C)C, CCCCCCC(C)OC(=O)CCCCC(=O)OC(C)CCCCCC

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 a57eda81-00f6-4aa9-b47a-40662f98b32c di-ester reaction products of linear and branched octyl alcohol with hexanedioic acid

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=di-esterreactionproductsoflinearandbranchedoctylalcoholwithhexanedioicacid||dimension=Environmental > media=Ground > geography=Unknown; cas=1330-86-5; added Common Chemistry CAS names as altLabel: Adipic acid, diisooctyl ester, Adipol 10A, DB 32, DB 32 (ester), DIOA, Diisooctyl adipate, Hatcol 2906, Hexanedioic acid, 1,6-diisooctyl ester, Hexanedioic acid, diisooctyl ester, Isooctyl alcohol, adipate (2:1); object_uuid=fo-dece7aed9e3bee7f
cas_match_labels 1 — consensus_match group_key=di-esterreactionproductsoflinearandbranchedoctylalcoholwithhexanedioicacid||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'1330-86-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-dece7aed9e3bee7f: {'1330-86-5': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': 'Adipic acid, diisooctyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1330-86-5', 'https://commonchemistry.cas.org/detail?cas_rn=1330-86-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Adipol 10A', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1330-86-5', 'https://commonchemistry.cas.org/detail?cas_rn=1330-86-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'DB 32', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1330-86-5', 'https://commonchemistry.cas.org/detail?cas_rn=1330-86-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'DB 32 (ester)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1330-86-5', 'https://commonchemistry.cas.org/detail?cas_rn=1330-86-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'DIOA', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1330-86-5', 'https://commonchemistry.cas.org/detail?cas_rn=1330-86-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Diisooctyl adipate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1330-86-5', 'https://commonchemistry.cas.org/detail?cas_rn=1330-86-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Hatcol 2906', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1330-86-5', 'https://commonchemistry.cas.org/detail?cas_rn=1330-86-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Hexanedioic acid, 1,6-diisooctyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1330-86-5', 'https://commonchemistry.cas.org/detail?cas_rn=1330-86-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Hexanedioic acid, diisooctyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1330-86-5', 'https://commonchemistry.cas.org/detail?cas_rn=1330-86-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isooctyl alcohol, adipate (2:1)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1330-86-5', 'https://commonchemistry.cas.org/detail?cas_rn=1330-86-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=di-esterreactionproductsoflinearandbranchedoctylalcoholwithhexanedioicacid||dimension=Environmental > media=Ground > geography=Unknown; cas=1330-86-5; added Common Chemistry CAS names as altLabel: Adipic acid, diisooctyl ester, Adipol 10A, DB 32, DB 32 (ester), DIOA, Diisooctyl adipate, Hatcol 2906, Hexanedioic acid, 1,6-diisooctyl ester, Hexanedioic acid, diisooctyl ester, Isooctyl alcohol, adipate (2:1); object_uuid=fo-dece7aed9e3bee7f
cas_match_labels None {'1330-86-5': 'exactMatch'} group_key=di-esterreactionproductsoflinearandbranchedoctylalcoholwithhexanedioicacid||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'1330-86-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-dece7aed9e3bee7f: {'1330-86-5': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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