Butane-1,3-diyl Diacetate

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UUID 21ee3cf1-564f-4ade-ba09-cf4753dcaa95

Flow Object ID fo-f0cc8c94dd4316e1

Source EF 3.1

Context Environmental → Air → Aircraft cruise height

CAS Numbers 1117-31-3

EC Numbers 214-244-2

prefLabel

Language	Value	Provenance
`en`	`Butane-1,3-diyl Diacetate`

altLabel ⓘ

Language	Value	Provenance
`en`	`(±)-1,3-Diacetoxybutane`
`en`	`1,3-BGDA`
`en`	`1,3-Butanediol, 1,3-diacetate`
`en`	`1,3-Butanediol, diacetate`
`en`	`1,3-Butanediyl diacetate`
`en`	`1,3-Butylene diacetate`
`en`	`1,3-Butylene glycol diacetate`
`en`	`1,3-Diacetoxybutane`
`en`	`CELTOL 1,3-BGDA`
`en`	`NSC 67338`

References

Shared Properties

Predicate	Value
InChIKey	`KVFSSOAOLLIISP-UHFFFAOYSA-N, MPAGVACEWQNVQO-UHFFFAOYSA-N, RCDUGBNYVVMQEK-UHFFFAOYSA-N`
InChI	`InChI=1S/C17H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-17(18)20-16-15-19-2/h3-16H2,1-2H3, InChI=1S/C4H10O2.2C2H4O2/c1-4(6)2-3-5;21-2(3)4/h4-6H,2-3H2,1H3;21H3,(H,3,4), InChI=1S/C8H14O4/c1-6(12-8(3)10)4-5-11-7(2)9/h6H,4-5H2,1-3H3`
IUPAC name	`2-methoxyethyl tetradecanoate, 3-acetoxybutyl acetate, 3-acetyloxybutyl acetate, 3-acetyloxybutyl ethanoate, acetic acid 3-acetoxybutyl ester, acetic acid 3-acetyloxybutyl ester, acetic acid;butane-1,3-diol, butane-1,3-diol;ethanoic acid, myristic acid 2-methoxyethyl ester, tetradecanoic acid 2-methoxyethyl ester`
Molecular formula	`C17H34O3, C8H14O4, C8H18O6`
SMILES	`CC(CCO)O.CC(=O)O.CC(=O)O, CC(CCOC(=O)C)OC(=O)C, CCCCCCCCCCCCCC(=O)OCCOC`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`21ee3cf1-564f-4ade-ba09-cf4753dcaa95`	butane-1,3-diyl diacetate

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	butane-1,3-diyl diacetate	Emissions/Emissions to air/Emissions to lower stratosphere and upper troposphere	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=butane-1,3-diyldiacetate\|\|dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=1117-31-3; added Common Chemistry CAS names as altLabel: (±)-1,3-Diacetoxybutane, 1,3-BGDA, 1,3-Butanediol, 1,3-diacetate, 1,3-Butanediol, diacetate, 1,3-Butanediyl diacetate, 1,3-Butylene diacetate, 1,3-Butylene glycol diacetate, 1,3-Diacetoxybutane, CELTOL 1,3-BGDA, NSC 67338; object_uuid=fo-f0cc8c94dd4316e1
`cas_match_labels`	1	`—`	consensus_match	group_key=butane-1,3-diyldiacetate\|\|dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1117-31-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f0cc8c94dd4316e1: {'1117-31-3': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Air
strata	Aircraft cruise height

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '(±)-1,3-Diacetoxybutane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1117-31-3', 'https://commonchemistry.cas.org/detail?cas_rn=1117-31-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,3-BGDA', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1117-31-3', 'https://commonchemistry.cas.org/detail?cas_rn=1117-31-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,3-Butanediol, 1,3-diacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1117-31-3', 'https://commonchemistry.cas.org/detail?cas_rn=1117-31-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,3-Butanediol, diacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1117-31-3', 'https://commonchemistry.cas.org/detail?cas_rn=1117-31-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,3-Butanediyl diacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1117-31-3', 'https://commonchemistry.cas.org/detail?cas_rn=1117-31-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,3-Butylene diacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1117-31-3', 'https://commonchemistry.cas.org/detail?cas_rn=1117-31-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,3-Butylene glycol diacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1117-31-3', 'https://commonchemistry.cas.org/detail?cas_rn=1117-31-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,3-Diacetoxybutane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1117-31-3', 'https://commonchemistry.cas.org/detail?cas_rn=1117-31-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'CELTOL 1,3-BGDA', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1117-31-3', 'https://commonchemistry.cas.org/detail?cas_rn=1117-31-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 67338', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1117-31-3', 'https://commonchemistry.cas.org/detail?cas_rn=1117-31-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=butane-1,3-diyldiacetate\|\|dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=1117-31-3; added Common Chemistry CAS names as altLabel: (±)-1,3-Diacetoxybutane, 1,3-BGDA, 1,3-Butanediol, 1,3-diacetate, 1,3-Butanediol, diacetate, 1,3-Butanediyl diacetate, 1,3-Butylene diacetate, 1,3-Butylene glycol diacetate, 1,3-Diacetoxybutane, CELTOL 1,3-BGDA, NSC 67338; object_uuid=fo-f0cc8c94dd4316e1
`cas_match_labels`	`None`	`{'1117-31-3': 'exactMatch'}`	group_key=butane-1,3-diyldiacetate\|\|dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1117-31-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f0cc8c94dd4316e1: {'1117-31-3': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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