3-Acetyl-5-methyloxolan-2-one

HCID 97846CAS 3620-18-6

Substructure search Find similar structures

Basic information

Standard SMILES: CC(=O)C1CC(C)OC1=O
InChIKey: PNRIRUUSCZDXEP-UHFFFAOYSA-N
Molecular formula: C7H10O3
Average molar mass: 142.15 g/mol
Monoisotopic mass: 142.06299418

Names & identifiers

Preferred name: 3-Acetyl-5-methyloxolan-2-one
IUPAC: 3-acetyl-5-methyloxolan-2-one
English name: 3-acetyldihydro-5-methylfuran-2(3H)-one
Molecular formula: C7H10O3
Molecular weight: 142.1525

Names & synonyms

3620-18-63-acetyl-5-methyloxolan-2-one3-acetyl-5-methyldihydrofuran-2(3h)-one3-Acetyldihydro-5-methylfuran-2(3H)-one2(3H)-Furanone,3-acetyldihydro-5-methyl-3-acetyl-5-methyldihydro-2(3H)-furanoneNSC46347EINECS 222-816-8starbld0022836SCHEMBL3611593DTXSID60957602DAA62018

Show more names

3-Acetyldihydro-5-methyl-2(3H)-furanone2(3H)-Furanone, 3-acetyldihydro-5-Methyl-5-Methyl-3-acetyl-4,5-dihydrofuran-2(3H)-one3-Acetyl-5-methyl-4,5-dihydro-2(3H)-furanone

NSC 46347NSC-46347AKOS0159046733-acetyl-5-methyl-tetrahydrofuran-2-oneCS-0231888NS00047078EN300-125731

Database identifiers

CAS: 3620-18-6
PubChem CID: 97846
DTXSID: DTXSID60957602
EC Number: 222-816-8
Nikkaji: J205.547C

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 174

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-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.