Pivalolactone

2-Oxetanone, 3,3-dimethyl-
3,3-Dimethyl-2-oxetanone
3,3-Dimethyl-β-propiolactone
Hydracrylic acid, 2,2-dimethyl-, β-lactone
Pivalic acid lactone
Propanoic acid, 3-hydroxy-2,2-dimethyl-, β-lactone
α,a-Dimethyl-β-propiolactone
α,α-Dimethyl-β-propiolactone
α,α-Dimethylpropiolactone

Property	Value
InChI2D key string chemrof:inchi2d_key_string	ULKFLOVGORAZDI-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C5H8O2/c1-5(2)3-7-4(5)6/h3H2,1-2H3
IUPAC name chemrof:IUPAC_name	2-Oxetanone, 3,3-dimethyl-
Molecular formula chemrof:molecular_formula	C5H8O2
Molecular mass chemrof:molecular_mass	100.117
Monoisotopic mass chemrof:monoisotopic_mass	100.052429
SMILES string chemrof:smiles_string	CC1(C)COC1=O

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource	URL	Recorded by
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=1955-45-9	enrich_references.consensus_cas_link
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=24969-13-9	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID0021171	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6813U5R1GP	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J42.694F	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/16059	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q27264192	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
1f30fd66-6556-11dd-ad8b-0800200c9a66	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
4d9a8790-3ddd-11dd-9906-0050c2490048	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
0cdc1160-5d9f-47e2-8c4b-b09f10316bc3	Environmental → Air → Indoor	EF 3.1	kg	2
4d9a8790-3ddd-11dd-98e4-0050c2490048	Environmental → Air → Long-term	EF 3.1	kg	0
4d9a8790-3ddd-11dd-9907-0050c2490048	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
4d9a8790-3ddd-11dd-98e3-0050c2490048	Environmental → Air → Unknown	EF 3.1	kg	2
4d9a8790-3ddd-11dd-98e1-0050c2490048	Environmental → Ground → Agricultural	EF 3.1	kg	2
4d9a8790-3ddd-11dd-990b-0050c2490048	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
4d9a8790-3ddd-11dd-98e2-0050c2490048	Environmental → Ground → Unknown	EF 3.1	kg	2
4d9a8790-3ddd-11dd-9909-0050c2490048	Environmental → Water → Long-term	EF 3.1	kg	0
4d9a8790-3ddd-11dd-990c-0050c2490048	Environmental → Water → Ocean	EF 3.1	kg	2
4d9a8790-3ddd-11dd-9908-0050c2490048	Environmental → Water → Surface water	EF 3.1	kg	2
41dffadcd48f41040fed6c5f936774f52d336e51	Environmental → Water → Unconfined aquifer	stepwise algorithm addition	kg	0
4d9a8790-3ddd-11dd-990a-0050c2490048	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (54 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-261a5a944ec9e8b2",
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Pivalolactone

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Structure

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