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Formyl acetate

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Name

Formyl acetate

EINECS N/A
CAS No. 2258-42-6 Density 1.116 g/cm3
PSA 43.37000 LogP 0.34180
Solubility N/A Melting Point N/A
Formula C3H4O3 Boiling Point 102.6 °C at 760 mmHg
Molecular Weight 88.063 Flash Point 31 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 2258-42-6 (Formyl acetate) Hazard Symbols N/A
Synonyms

Acetic acid, anhydride with formic acid;Acetic formic anhydride;methanone, (acetyloxy)-;

Article Data 79

Formyl acetate Synthetic route

64-18-6

formic acid

108-24-7

acetic anhydride

2258-42-6

Acetic formic anhydride

Conditions
ConditionsYield
at 60℃; for 1h; Inert atmosphere;100%
at 0 - 60℃; for 3.5h;78%
at 50℃; Fraktionierung im Vakuum;
108-24-7

acetic anhydride

2258-42-6

Acetic formic anhydride

Conditions
ConditionsYield
With formic acid at 0℃; for 2h;100%
141-53-7

sodium formate

75-36-5

acetyl chloride

2258-42-6

Acetic formic anhydride

Conditions
ConditionsYield
In diethyl ether at 25℃; for 6h;90%
In diethyl ether at 23 - 27℃; for 6h;65%
In diethyl ether at 25℃; Inert atmosphere;65%
63913-42-8

(3E)-4-morpholin-4-yl-pent-3-en-2-one

A

1696-20-4

4-acetylmorpholine

B

127-17-3

2-oxo-propionic acid

C

2258-42-6

Acetic formic anhydride

Conditions
ConditionsYield
With ozone In dichloromethane at -70℃;A 86%
B 6%
C 6%
109-94-4

formic acid ethyl ester

A

64-18-6

formic acid

B

2258-42-6

Acetic formic anhydride

Conditions
ConditionsYield
With chlorine at -18.16℃; under 730 Torr; Irradiation; chamber system;A 16%
B 51%
With chlorine at -18.16℃; under 730 Torr; Irradiation; chamber system;A 38%
B 27%
75-36-5

acetyl chloride

2258-42-6

Acetic formic anhydride

Conditions
ConditionsYield
With sodium formate In acetonitrile50%
With sodium formate In tetrahydrofuran
With sodium formate In tetrahydrofuran
With sodium formate In diethyl ether
1115-11-3

2-methyl-2-pentenal

A

131250-91-4

3-Acetyl-5-methyl-1,2,4-trioxolan

B

131250-92-5

3,5,5'-Trimethyl-3,3'-bi-1,2,4-trioxolan

C

75-07-0

acetaldehyde

D

2258-42-6

Acetic formic anhydride

Conditions
ConditionsYield
With ozone In polyethylene at -75℃; for 15h; Further byproducts given;A 5 % Spectr.
B 47%
C 18 % Spectr.
D 10 % Spectr.
644-49-5

propyl isobutyrate

A

67-64-1

acetone

B

2258-42-6

Acetic formic anhydride

Conditions
ConditionsYield
With dihydrogen peroxide at 22.84℃; under 760 Torr; Kinetics; Photolysis;A 43%
B 43%
1115-11-3

2-methyl-2-pentenal

A

131251-01-9

1-Acetoxy-1-(formyloxy)ethan

B

131250-91-4

3-Acetyl-5-methyl-1,2,4-trioxolan

C

131250-92-5

3,5,5'-Trimethyl-3,3'-bi-1,2,4-trioxolan

D

2258-42-6

Acetic formic anhydride

Conditions
ConditionsYield
With ozone In pentane at -75℃; Further byproducts given;A 1%
B 6 % Spectr.
C 39%
D 20 % Spectr.
With ozone In pentane at -75℃; Further byproducts given. Title compound not separated from byproducts;A 6 % Spectr.
B 6 % Spectr.
C 36 % Spectr.
D 20 % Spectr.
109-94-4

formic acid ethyl ester

A

64-18-6

formic acid

B

1558-67-4

formic anhydride

C

2258-42-6

Acetic formic anhydride

Conditions
ConditionsYield
With chlorine at 24.84℃; under 730 Torr; Irradiation; chamber system;A 39%
B 7%
C 19%
With chlorine at -0.16℃; under 730 Torr; Irradiation; chamber system;A 19%
B 6%
C 37%

Formyl acetate Specification

The Formyl acetate, with the CAS registry number 2258-42-6, has the systematic name of methanone, (acetyloxy)-. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C3H4O3.

The characteristics of Formyl acetate are as followings: (1)ACD/LogP: -0.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.35; (4)ACD/LogD (pH 7.4): -0.35; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 15.35; (8)ACD/KOC (pH 7.4): 15.35; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 43.37 Å2; (13)Index of Refraction: 1.371; (14)Molar Refractivity: 17.9 cm3; (15)Molar Volume: 78.8 cm3; (16)Polarizability: 7.09×10-24cm3; (17)Surface Tension: 30.3 dyne/cm; (18)Density: 1.116 g/cm3; (19)Flash Point: 31 °C; (20)Enthalpy of Vaporization: 34.17 kJ/mol; (21)Boiling Point: 102.6 °C at 760 mmHg; (22)Vapour Pressure: 33.5 mmHg at 25°C.

Uses of Formyl acetate: It can react with benzothiazol-2-ylamine to produce N-benzothiazol-2-yl-formamide. This reaction will need reagent diethyl ether. The reaction time is 12 hours with ambient temperature, and the yield is about 70%. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC=O)C
(2)InChI: InChI=1/C3H4O3/c1-3(5)6-2-4/h2H,1H3
(3)InChIKey: ORWKVZNEPHTCQE-UHFFFAOYAK

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