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2-Methoxyethyl 3-oxobutanoate

2-Methoxyethyl 3-oxobutanoate structure

2-Methoxyethyl 3-oxobutanoate 

structure
  • CAS No:

    22502-03-0

  • Formula:

    C7H12O4

  • Chemical Name:

    2-Methoxyethyl 3-oxobutanoate

  • Synonyms:

    Butanoic acid,3-oxo-,2-methoxyethyl ester;Acetoacetic acid,2-methoxyethyl ester;Ethanol,2-methoxy-,acetoacetate;2-Methoxyethyl 3-oxobutanoate;2-Methoxyethyl acetoacetate;3-Oxo-butyric acid 2-methoxy-ethyl ester

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

Description

Clear light yellowish liquid

2-Methoxyethyl 3-oxobutanoate Basic Attributes

160.17

160.17

2079850

245-043-8

FN4CYZ9PV8

DTXSID20177026

2918300090

Characteristics

52.60000

0.15510

clear

1.1±0.1 g/cm3

90 °C @ Press: 3 Torr

218 °F

1.418

Store in a cool, dry place. Keep container closed when not in use.

0.0721mmHg at 25°C

Safety Information

NONH for all modes of transport

3

60-61-36/37/38

53-26-45-24/25-37/39

T,Xi

Stable under normal temperatures and pressures.

P201-P260-P280-P304 + P340 + P312-P308 + P311-P337 + P313

H315-H319-H335-H360FD-H371

|Danger|H315 (56.41%): Causes skin irritation [Warning Skin corrosion/irritation]|P201, P202, P261, P264, P271, P280, P281, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 78 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Methoxyethyl 3-oxobutanoate Use and Manufacturing

2-Methoxyethyl acetoacetate is used as intermediate for the syntheses of organic chemicals and pharmaceuticals (e.g. Nimodipine). Product Data Sheet

Computed Properties

Molecular Weight:160.17
XLogP3:-0.3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:160.07355886
Monoisotopic Mass:160.07355886
Topological Polar Surface Area:52.6
Heavy Atom Count:11
Complexity:141
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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