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Allyl acetoacetate

Allyl acetoacetate structure

CAS No:
1118-84-9
Formula:
C7H10O3
Chemical Name:
Allyl acetoacetate
Synonyms:
Butanoic acid,3-oxo-,2-propen-1-yl ester;Acetoacetic acid,allyl ester;Butanoic acid,3-oxo-,2-propenyl ester;Allyl acetoacetate;Allyl acetylacetate;Allyl 3-oxobutanoate;NSC 24280;3-Oxo-butyric acid allyl ester
Categories:
Chemical Reagents > Organic Reagents

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Allyl acetoacetate Basic Attributes

Molecular Weight：

142.15

Exact Mass：

142.15

BRN：

1758569

EC Number：

214-269-9

UNII：

8HX066J62P

NSC Number：

24280

DSSTox ID：

DTXSID40149740

HScode：

29183000

Characteristics

PSA：

43.4

XLogP3：

0.6

Appearance：

clear very slight yellow liquid.

Density：

1.0366 g/cm³ @ Temp: 25 °C

Melting Point：

-85 °C

Boiling Point：

196 °C

Flash Point：

75 °C

Refractive Index：

1.429

Water Solubility：

H2O: 50 g/L (20 ºC)

Storage Conditions：

Store below +30°C.

Vapor Pressure：

0.501mmHg at 25°C

Explosive limit：

1.15%(V)

Safety Information

Packing level：

Ⅲ

Hazard category：

6.1

Transport codes：

UN 2810 6.1/PG 3

wgk germany：

hazard class code：

22-24-38

safety instructions：

36/37-45-36/37/39-28A

Marks：

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

Precautionary statement(s)：

P280-P301 + P310-P312

Hazard Statements：

H301 + H311-H315

GHS Classification：

|Danger|H301 (41.67%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P280, P301+P310, P301+P312, P302+P352, P312, P321, P322, P330, P332+P313, P361, P362, P363, P405, and P501|Aggregated GHS information provided by 120 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Allyl acetoacetate Use and Manufacturing

Polymer additives.

Computed Properties

Molecular Weight:142.15
XLogP3:0.6
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:142.062994177
Monoisotopic Mass:142.062994177
Topological Polar Surface Area:43.4
Heavy Atom Count:10
Complexity:149
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Allyl acetoacetate 1118-84-9

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