1,3-dimethylbutyl Acetate

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UUID 82e07728-c648-4447-a5d7-eb5587f1109d

Flow Object ID fo-19e4c3b71b6556b5

Source EF 3.1

Context Environmental → Ground → Agricultural

CAS Numbers 108-84-9

EC Numbers 203-621-7

prefLabel

Language	Value	Provenance
`en`	`1,3-dimethylbutyl Acetate`

altLabel ⓘ

Language	Value	Provenance
`en`	`2-Pentanol, 4-methyl-, 2-acetate`
`en`	`2-Pentanol, 4-methyl-, acetate`
`en`	`4-Methyl-2-pentanol acetate`
`en`	`4-Methyl-2-pentyl acetate`
`en`	`4-Methylpent-2-yl ethanoate`
`en`	`Acetic acid 1,3-dimethylbutyl ester`
`en`	`MAAc`
`en`	`Methylisobutylcarbinol acetate`
`en`	`NSC 567`

References

Shared Properties

Predicate	Value
InChIKey	`CPIVYSAVIPTCCX-UHFFFAOYSA-N, CPIVYSAVIPTCCX-ZETCQYMHSA-N, RXTNIJMLAQNTEG-UHFFFAOYSA-N`
InChI	`InChI=1S/C8H16O2/c1-4-5-6-7(2)10-8(3)9/h7H,4-6H2,1-3H3, InChI=1S/C8H16O2/c1-6(2)5-7(3)10-8(4)9/h6-7H,5H2,1-4H3, InChI=1S/C8H16O2/c1-6(2)5-7(3)10-8(4)9/h6-7H,5H2,1-4H3/t7-/m0/s1`
IUPAC name	`1,3-dimethylbutyl acetate, 1-methylpentyl acetate, 4-methylpentan-2-yl acetate, 4-methylpentan-2-yl ethanoate, [(1S)-1,3-dimethylbutyl] acetate, [(2S)-4-methylpentan-2-yl] acetate, [(2S)-4-methylpentan-2-yl] ethanoate, acetic acid 1,3-dimethylbutyl ester, acetic acid 1-methylpentyl ester, acetic acid 4-methylpentan-2-yl ester, acetic acid [(1S)-1,3-dimethylbutyl] ester, acetic acid [(2S)-4-methylpentan-2-yl] ester, acetic acid hexan-2-yl ester, hexan-2-yl acetate, hexan-2-yl ethanoate`
Molecular formula	`C8H16O2`
SMILES	`CC(C)CC(C)OC(=O)C, CCCCC(C)OC(=O)C, C[C@@H](CC(C)C)OC(=O)C`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`82e07728-c648-4447-a5d7-eb5587f1109d`	1,3-dimethylbutyl acetate

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	1,3-dimethylbutyl acetate	Emissions/Emissions to soil/Emissions to agricultural soil	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=1,3-dimethylbutylacetate\|\|dimension=Environmental > media=Water > water_body=Unknown; cas=108-84-9; added Common Chemistry CAS names as altLabel: 2-Pentanol, 4-methyl-, 2-acetate, 2-Pentanol, 4-methyl-, acetate, 4-Methyl-2-pentanol acetate, 4-Methyl-2-pentyl acetate, 4-Methylpent-2-yl ethanoate, Acetic acid 1,3-dimethylbutyl ester, MAAc, Methylisobutylcarbinol acetate, NSC 567; object_uuid=fo-19e4c3b71b6556b5
`cas_match_labels`	1	`—`	consensus_match	group_key=1,3-dimethylbutylacetate\|\|dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'108-84-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-19e4c3b71b6556b5: {'108-84-9': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Ground
geography	Agricultural

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '2-Pentanol, 4-methyl-, 2-acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:108-84-9', 'https://commonchemistry.cas.org/detail?cas_rn=108-84-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Pentanol, 4-methyl-, acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:108-84-9', 'https://commonchemistry.cas.org/detail?cas_rn=108-84-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-Methyl-2-pentanol acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:108-84-9', 'https://commonchemistry.cas.org/detail?cas_rn=108-84-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-Methyl-2-pentyl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:108-84-9', 'https://commonchemistry.cas.org/detail?cas_rn=108-84-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-Methylpent-2-yl ethanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:108-84-9', 'https://commonchemistry.cas.org/detail?cas_rn=108-84-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Acetic acid 1,3-dimethylbutyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:108-84-9', 'https://commonchemistry.cas.org/detail?cas_rn=108-84-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'MAAc', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:108-84-9', 'https://commonchemistry.cas.org/detail?cas_rn=108-84-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Methylisobutylcarbinol acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:108-84-9', 'https://commonchemistry.cas.org/detail?cas_rn=108-84-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 567', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:108-84-9', 'https://commonchemistry.cas.org/detail?cas_rn=108-84-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=1,3-dimethylbutylacetate\|\|dimension=Environmental > media=Water > water_body=Unknown; cas=108-84-9; added Common Chemistry CAS names as altLabel: 2-Pentanol, 4-methyl-, 2-acetate, 2-Pentanol, 4-methyl-, acetate, 4-Methyl-2-pentanol acetate, 4-Methyl-2-pentyl acetate, 4-Methylpent-2-yl ethanoate, Acetic acid 1,3-dimethylbutyl ester, MAAc, Methylisobutylcarbinol acetate, NSC 567; object_uuid=fo-19e4c3b71b6556b5
`cas_match_labels`	`None`	`{'108-84-9': 'exactMatch'}`	group_key=1,3-dimethylbutylacetate\|\|dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'108-84-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-19e4c3b71b6556b5: {'108-84-9': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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