2,2-dimethylpropanoyl Chloride

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2,2-dimethylpropanoyl Chloride

UUID 7feefd74-6946-4eba-9a72-506c261bd054

Flow Object ID fo-019c9f0093845e4e

Source EF 3.1

Context Environmental → Ground → Agricultural

CAS Numbers 3282-30-2

EC Numbers 221-921-6

prefLabel

Language	Value	Provenance
`en`	`2,2-dimethylpropanoyl Chloride`

altLabel ⓘ

Language	Value	Provenance
`en`	`1,1-Dimethylethanecarbonyl chloride`
`en`	`2,2,2-Trimethylacetyl chloride`
`en`	`2,2-Dimethylpropionic acid chloride`
`en`	`2,2-Dimethylpropionyl chloride`
`en`	`<em>tert</em>-Butyl chloro ketone`
`en`	`<em>tert</em>-Butylcarbonyl chloride`
`en`	`Neopentanoyl chloride`
`en`	`Pivalic acid chloride`
`en`	`Pivalolyl chloride`
`en`	`Pivaloyl chloride`
`en`	`Pivalyl chloride`
`en`	`Propanoyl chloride, 2,2-dimethyl-`
`en`	`Trimethylacetyl chloride`

References

Shared Properties

Predicate	Value
InChIKey	`JVSFQJZRHXAUGT-UHFFFAOYSA-N, SICAFVHZPBSARB-UHFFFAOYSA-H`
InChI	`InChI=1S/3H2O4S.8H2O.2Sm/c31-5(2,3)4;;;;;;;;;;/h3(H2,1,2,3,4);81H2;;/q;;;;;;;;;;;2+3/p-6, InChI=1S/C5H9ClO/c1-5(2,3)4(6)7/h1-3H3`
IUPAC name	`2,2-dimethylpropanoyl chloride, 2,2-dimethylpropionyl chloride, bis(samarium(3+));trisulfate;octahydrate`
Molecular formula	`C5H9ClO, H16O20S3Sm2`
SMILES	`CC(C)(C)C(=O)Cl, O.O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Sm+3].[Sm+3]`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`7feefd74-6946-4eba-9a72-506c261bd054`	2,2-dimethylpropanoyl chloride

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	2,2-dimethylpropanoyl chloride	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=2,2-dimethylpropanoylchloride\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=3282-30-2; added Common Chemistry CAS names as altLabel: 1,1-Dimethylethanecarbonyl chloride, 2,2,2-Trimethylacetyl chloride, 2,2-Dimethylpropionic acid chloride, 2,2-Dimethylpropionyl chloride, <em>tert</em>-Butyl chloro ketone, <em>tert</em>-Butylcarbonyl chloride, Neopentanoyl chloride, Pivalic acid chloride, Pivalolyl chloride, Pivaloyl chloride, Pivalyl chloride, Propanoyl chloride, 2,2-dimethyl-, Trimethylacetyl chloride; object_uuid=fo-019c9f0093845e4e
`cas_match_labels`	1	`—`	consensus_match	group_key=2,2-dimethylpropanoylchloride\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'3282-30-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-019c9f0093845e4e: {'3282-30-2': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Ground
geography	Agricultural

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '1,1-Dimethylethanecarbonyl chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3282-30-2', 'https://commonchemistry.cas.org/detail?cas_rn=3282-30-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2,2,2-Trimethylacetyl chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3282-30-2', 'https://commonchemistry.cas.org/detail?cas_rn=3282-30-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2,2-Dimethylpropionic acid chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3282-30-2', 'https://commonchemistry.cas.org/detail?cas_rn=3282-30-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2,2-Dimethylpropionyl chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3282-30-2', 'https://commonchemistry.cas.org/detail?cas_rn=3282-30-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>tert</em>-Butyl chloro ketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3282-30-2', 'https://commonchemistry.cas.org/detail?cas_rn=3282-30-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>tert</em>-Butylcarbonyl chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3282-30-2', 'https://commonchemistry.cas.org/detail?cas_rn=3282-30-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Neopentanoyl chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3282-30-2', 'https://commonchemistry.cas.org/detail?cas_rn=3282-30-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Pivalic acid chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3282-30-2', 'https://commonchemistry.cas.org/detail?cas_rn=3282-30-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Pivalolyl chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3282-30-2', 'https://commonchemistry.cas.org/detail?cas_rn=3282-30-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Pivaloyl chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3282-30-2', 'https://commonchemistry.cas.org/detail?cas_rn=3282-30-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Pivalyl chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3282-30-2', 'https://commonchemistry.cas.org/detail?cas_rn=3282-30-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Propanoyl chloride, 2,2-dimethyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3282-30-2', 'https://commonchemistry.cas.org/detail?cas_rn=3282-30-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Trimethylacetyl chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3282-30-2', 'https://commonchemistry.cas.org/detail?cas_rn=3282-30-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=2,2-dimethylpropanoylchloride\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=3282-30-2; added Common Chemistry CAS names as altLabel: 1,1-Dimethylethanecarbonyl chloride, 2,2,2-Trimethylacetyl chloride, 2,2-Dimethylpropionic acid chloride, 2,2-Dimethylpropionyl chloride, <em>tert</em>-Butyl chloro ketone, <em>tert</em>-Butylcarbonyl chloride, Neopentanoyl chloride, Pivalic acid chloride, Pivalolyl chloride, Pivaloyl chloride, Pivalyl chloride, Propanoyl chloride, 2,2-dimethyl-, Trimethylacetyl chloride; object_uuid=fo-019c9f0093845e4e
`cas_match_labels`	`None`	`{'3282-30-2': 'exactMatch'}`	group_key=2,2-dimethylpropanoylchloride\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'3282-30-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-019c9f0093845e4e: {'3282-30-2': '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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  "altLabel": [
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