CAS No.2258-42-6,Formyl acetate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2258-42-6
Name:	Formyl acetate
Article Data:	79

Formula:	C₃H₄O₃
Molecular Weight:	88.063
Synonyms:	Acetic acid, anhydride with formic acid;Acetic formic anhydride;methanone, (acetyloxy)-;
Density:	1.116 g/cm³
Boiling Point:	102.6 °C at 760 mmHg
Flash Point:	31 °C
PSA:	43.37000
LogP:	0.34180

Synthetic route

: 64-18-6
formic acid

: 108-24-7
acetic anhydride

: 2258-42-6
Acetic formic anhydride

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
With ozone In dichloromethane at -70℃;	A 86% B 6% C 6%

...Expand

: 109-94-4
formic acid ethyl ester

A: 64-18-6
formic acid

B: 2258-42-6
Acetic formic anhydride

Conditions

Conditions	Yield
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

Conditions	Yield
With sodium formate In acetonitrile	50%
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

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

...Expand

: 644-49-5
propyl isobutyrate

A: 67-64-1
acetone

B: 2258-42-6
Acetic formic anhydride

Conditions

Conditions	Yield
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

Conditions	Yield
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.

...Expand

: 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

Conditions	Yield
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%

...Expand

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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