Ethyl 4-methoxy-3-oxobutanoate

HCID 12645099CAS 66762-68-3

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Basic information

Standard SMILES: CCOC(=O)CC(=O)COC
InChIKey: CMKOJBYFNYDATH-UHFFFAOYSA-N
Molecular formula: C7H12O4
Average molar mass: 160.17 g/mol
Monoisotopic mass: 160.07355886

Names & identifiers

Preferred name: Ethyl 4-methoxy-3-oxobutanoate
IUPAC: ethyl 4-methoxy-3-oxobutanoate
English name: Ethyl 4-methoxy-3-oxo-butanoate
Molecular formula: C7H12O4
Molecular weight: 160.17

Names & synonyms

ethyl 4-methoxy-3-oxobutanoate66762-68-3DTXSID80505528RefChem:344029DTXCID70456338822-801-1ETHYL 4-METHOXY-3-OXO-BUTANOATEMFCD07783018Butanoic acid, 4-methoxy-3-oxo-, ethyl ester4-Methoxy-3-oxo-butanoic acid ethyl esterEthyl 4-methoxyacetoacetateEthyl 4-Methyloxy-3-oxo-butanoate

Show more names

Ethyl 4-methoxy-3-oxobutanoate 98%4-methoxy-acetoacetic acid ethyl esterETHYL 4-METHOXY-3-OXO-BUTANOATE ISO 9001：2015 REACHEthyl 4-methoxy-3-oxobutanoate, Ethyl 4-methoxy-3-oxobutryate

gamma-methoxyacetoacetic acid ethyl esterAS-40133FT-0651422ethyl 4-methoxy-acetoacetateSCHEMBL126088RCA76268ETHYL4-METHOXY-3-OXOBUTANOATEAKOS010952106

Database identifiers

CAS: 66762-68-3
PubChem CID: 12645099
DTXSID: DTXSID80505528
EC Number: 822-801-1

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 52.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 11
Formal charge: 0
Complexity: 141

Physicochemical properties

Boiling point: 68 · 68-71 °C(Press: 5 Torr)
Density: 1.06 · 1.060±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 9.9 · 9.90±0.46(Predicted)
Appearance: Colorless to light yellow Liquid
InChI: InChI=1S/C7H12O4/c1-3-11-7(9)4-6(8)5-10-2/h3-5H2,1-2H3
InChIKey: CMKOJBYFNYDATH-UHFFFAOYSA-N
SMILES: C(OCC)(=O)CC(=O)COC
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335
Precautionary statements: 260 · P260-P280-P301+P312
HS Code: 2918999090 · 2918999090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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.