CAS 1089709-03-4 3-Hydroxycyclobutyl 2,2-dimethylpropanoate (HCID 57515871)

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Basic information

CAS: 1089709-03-4
Standard SMILES: CC(C)(C)C(=O)OC1CC(O)C1
InChIKey: AOWHHZSWFRKEHL-UHFFFAOYSA-N
Molecular formula: C9H16O3
Average molar mass: 172.22 g/mol

Names & identifiers

Preferred name: 3-Hydroxycyclobutyl 2,2-dimethylpropanoate
IUPAC: (3-hydroxycyclobutyl) 2,2-dimethylpropanoate
English name: 3-Hydroxycyclobutyl Pivalate
Molecular formula: C9H16O3
Molecular weight: 172.22

Names & synonyms

1089709-03-43-HYDROXYCYCLOBUTYL 2,2-DIMETHYLPROPANOATERefChem:502544828-170-93-hydroxycyclobutyl pivalate1932016-87-9cis-3-hydroxycyclobutyl 2,2-dimethylpropanoate3-Hydroxylcyclobutyl pivalate(3-hydroxycyclobutyl) 2,2-dimethylpropanoate(1s,3s)-3-hydroxycyclobutyl 2,2-dimethylpropanoateMFCD27955486CIS-3-HYDROXYCYCLOBUTYL PIVALATE

Show more names

3-Hydroxycyclobutyl Pivalate(WXC01277)Propanoic acid, 2,2-dimethyl-, 3-hydroxycyclobutyl ester

MFCD284054983-hydroxycyclobutylpivalateSCHEMBL1795982SCHEMBL17801335AOWHHZSWFRKEHL-UHFFFAOYSA-NAKOS027253499AS-59557DB-315451

Database identifiers

CAS: 1089709-03-4
PubChem CID: 57515871
EC Number: 828-170-9

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 175

Physicochemical properties

Boiling point: 218.8 · 218.8±15.0 °C(Predicted)
Density: 1.06 · 1.06±0.1 g/cm3(Predicted)
pka: 14.48 · 14.48±0.40(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

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.