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Butanoic acid, 2-acetyl-3-oxo-, ethyl ester

Butanoic acid, 2-acetyl-3-oxo-, ethyl ester structure

CAS No:
603-69-0
Formula:
C8H12O4
Chemical Name:
Butanoic acid, 2-acetyl-3-oxo-, ethyl ester
Synonyms:
Butanoic acid,2-acetyl-3-oxo-,ethyl ester;Acetoacetic acid,2-acetyl-,ethyl ester;Ethyl diacetylacetate;Ethyl 2-acetylacetoacetate;Ethyl 2-acetyl-3-oxobutyrate;Ethyl diacetoacetate;NSC 345;NSC 68058;2-Acetyl-3-oxobutanoic acid ethyl ester;2-Acetyl-3-oxobutyric acid ethyl ester;Di(acetyl)acetic acid ethyl ester;Ethyl 2-acetyl-3-oxobutanoate

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Description

clear colorless to yellow liquid

Butanoic acid, 2-acetyl-3-oxo-, ethyl ester Basic Attributes

Molecular Weight：

172.18

Exact Mass：

172.18

BRN：

775014

EC Number：

210-053-3

NSC Number：

345

DSSTox ID：

DTXSID80209059

HScode：

2918300090

Characteristics

PSA：

60.4

XLogP3：

2.48

Appearance：

clear colorless to yellow liquid

Density：

1.1045 g/cm³ @ Temp: 20 °C

Boiling Point：

210 °C

Flash Point：

185 °F

Refractive Index：

1.429

Water Solubility：

Not miscible in water.

Safety Information

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36/37/39-37/39

Marks：

Hazard note：

Irritant

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:172.18
XLogP3:0.3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:172.07355886
Monoisotopic Mass:172.07355886
Topological Polar Surface Area:60.4
Heavy Atom Count:12
Complexity:193
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Butanoic acid, 2-acetyl-3-oxo-, ethyl ester

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

Butanoic acid, 2-acetyl-3-oxo-, ethyl ester

SDS

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