3-Oxocyclobutyl pivalate

HCID 53396992

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Basic information

CAS: 1071194-23-4
Standard SMILES: CC(C)(C)C(=O)OC1CC(=O)C1
InChIKey: QPYSQIQZVJMPGH-UHFFFAOYSA-N
Molecular formula: C9H14O3
Average molar mass: 170.21 g/mol

Names & identifiers

Preferred name: 3-Oxocyclobutyl pivalate
IUPAC: (3-oxocyclobutyl) 2,2-dimethylpropanoate
English name: 3-Oxocyclobutyl pivalate
Molecular formula: C9H14O3
Molecular weight: 170.21

Names & synonyms

3-oxocyclobutyl pivalate1071194-23-4MFCD24690600(3-oxocyclobutyl) 2,2-dimethylpropanoate2,2-DIMETHYLPROPANOIC ACID 3-OXOCYCLOBUTYL ESTERSCHEMBL1795299WSB19423AKOS025146751SB13134AS-39367SY242645CS-0180946

Show more names

3-oxocyclobutyl pivalate(WXC01276)Propanoic acid, 2,2-dimethyl-, 3-oxocyclobutyl ester

QPYSQIQZVJMPGH-UHFFFAOYSA-NDB-315549F464945

Database identifiers

CAS: 1071194-23-4
PubChem CID: 53396992
EC Number: 183-116-5

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 204

Physicochemical properties

storage temp.: 2 · 2-8°C
Appearance: colorless liquid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319
Precautionary statements: 261 · P261-P302+P352-P305+P351+P338
HS Code: 2918300090 · 2918300090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.