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1,2-Diformyloxyethane

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Name

1,2-Diformyloxyethane

EINECS 211-077-7
CAS No. 629-15-2 Density 1.158 g/cm3
PSA 52.60000 LogP 0.60420
Solubility Soluble in water Melting Point N/A
Formula C4H6O4 Boiling Point 175 °C at 760 mmHg
Molecular Weight 118.089 Flash Point 86.2 °C
Transport Information N/A Appearance water-white liquid
Safety 26-36 Risk Codes 22-41
Molecular Structure Molecular Structure of 629-15-2 (1,2-Diformyloxyethane) Hazard Symbols HarmfulXn
Synonyms

1,2-Ethanediol,diformate (9CI);Ethylene glycol, diformate (6CI,7CI,8CI);Ethylene diformate;Ethylene formate;Glycol diformate;NSC 8831;

Article Data 37

1,2-Diformyloxyethane Synthetic route

64-18-6

formic acid

107-21-1

ethylene glycol

629-15-2

ethylene glycol diformate

Conditions
ConditionsYield
ammonium cerium(IV) nitrate In chloroform at 55 - 60℃;98%
Stage #1: formic acid With silica gel at 20℃; for 0.0166667h;
Stage #2: ethylene glycol With silica gel at 110℃; for 0.166667h;
96%
phosphoric acid In benzene Acylation; Heating;93.2%

1,4-Bis(1-hydroxyethoxy)-2-butyne diformate

629-15-2

ethylene glycol diformate

Conditions
ConditionsYield
In formic acid Mechanism; Heating;92%

1,4-Bis(1-hydroxyethoxy)-2-butyne diformate

formic acid

formic acid

629-15-2

ethylene glycol diformate

Conditions
ConditionsYield
dodecacarbonyl-triangulo-triruthenium for 2h; Heating;92%
127817-98-5

2,3,8,8a-Tetrahydro-cis-4aH-pyrano<2,3-b>-<1,4>dioxin-7(6H)-on-ethylenacetal

A

629-15-2

ethylene glycol diformate

127817-99-6

2,3,8,8a-Tetrahydro-cis-4aH-pyrano<2,3-b>-<1,4>dioxin-7(6H)-on

Conditions
ConditionsYield
With formic acid for 6h; Ambient temperature;A n/a
B 49.3%
543-75-9

1,4-dioxene

106-51-4

p-benzoquinone

A

629-15-2

ethylene glycol diformate

108165-10-2

spiro<2.3.5.7.10-pentaoxabicyclo<4.4.0>decane-4,1'-cyclohexa-2',5'-dien-4'-one>

Conditions
ConditionsYield
With oxygen In tetrachloromethane at -5℃; under 7600 Torr; for 4h; Irradiation;A 34%
B 20%
119-61-9

benzophenone

543-75-9

1,4-dioxene

A

108165-08-8

7,7-diphenyl-2,5,8-trioxatricyclo<4.2.0> octane

B

629-15-2

ethylene glycol diformate

108165-09-9

cis-2,3,5,7,10-pentaoxa-4,4-diphenylbicyclo<4.4.0>dodecane

Conditions
ConditionsYield
With oxygen In tetrachloromethane at -5℃; under 7600 Torr; for 6h; Irradiation;A 9%
B 24%
C 7%
628-35-3

ethylene glycol monoformate

A

629-15-2

ethylene glycol diformate

B

107-21-1

ethylene glycol

Conditions
ConditionsYield
With 1-Methylpyrrolidine; ruthenium(II) bis(triphenylphosphine) dichloride at 140℃; for 15h;A 12%
B 12%
75-21-8

oxirane

64-18-6

formic acid

629-15-2

ethylene glycol diformate

Conditions
ConditionsYield
With sulfuric acid
Conditions
ConditionsYield
at 132℃; under 20594.2 Torr; Behandeln mit Luft;
123-91-1

1,4-dioxane

629-15-2

ethylene glycol diformate

Conditions
ConditionsYield
With clorine; oxygen; nitrogen(II) oxide at 21.9℃; under 700 Torr; Product distribution; Mechanism; FTIR study of atmospheric fate of title comp.;
With air; Cyclopentane; cobalt(II) acetate at 132℃; under 22065.2 Torr;
With OH radicals; nitrogen(II) oxide Kinetics; Oxidation; UV-irradiation;

1,2-Diformyloxyethane Consensus Reports

Reported in EPA TSCA Inventory.

1,2-Diformyloxyethane Specification

The Ethylene glycol diformate, with the CAS registry number 629-15-2, is also known as Formic acid, ethylene ester. Its EINECS registry number is 211-077-7. This chemical's molecular formula is C4H6O4 and molecular weight is 118.08804. Its IUPAC name is called 2-formyloxyethyl formate. This chemical's classification code is Skin / Eye Irritant.

Physical properties of Ethylene glycol diformate: (1)ACD/LogP: -0.37; (2)ACD/LogD (pH 5.5): -0.37; (3)ACD/LogD (pH 7.4): -0.37; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 14.91; (7)ACD/KOC (pH 7.4): 14.91; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 5; (10)Index of Refraction: 1.395; (11)Molar Refractivity: 24.44 cm3; (12)Molar Volume: 101.9 cm3; (13)Surface Tension: 35.2 dyne/cm; (14)Density: 1.158 g/cm3; (15)Flash Point: 86.2 °C; (16)Enthalpy of Vaporization: 41.13 kJ/mol; (17)Boiling Point: 175 °C at 760 mmHg; (18)Vapour Pressure: 1.17 mmHg at 25°C.

Preparation of Ethylene glycol diformate: this chemical can be prepared by formic acid 2-[4-(2-formyloxy-ethoxy)-but-2-ynyloxy]-ethyl ester by heating. This reaction will need solvent formic acid. The yield is about 92%.

Ethylene glycol diformate can be prepared by formic acid 2-[4-(2-formyloxy-ethoxy)-but-2-ynyloxy]-ethyl ester by heating

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful if swallowed. In addition, there will be a risk of serious damage to eyes. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(COC=O)OC=O
(2)InChI: InChI=1S/C4H6O4/c5-3-7-1-2-8-4-6/h3-4H,1-2H2
(3)InChIKey: IKCQWKJZLSDDSS-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 390mg/kg (390mg/kg) BEHAVIORAL: GENERAL ANESTHETIC

GASTROINTESTINAL: OTHER CHANGES

KIDNEY, URETER, AND BLADDER: OTHER CHANGES
Journal of Industrial Hygiene and Toxicology. Vol. 23, Pg. 259, 1941.
rat LD50 oral 1510mg/kg (1510mg/kg) BEHAVIORAL: GENERAL ANESTHETIC

GASTROINTESTINAL: OTHER CHANGES

KIDNEY, URETER, AND BLADDER: OTHER CHANGES
Journal of Industrial Hygiene and Toxicology. Vol. 23, Pg. 259, 1941.

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