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Diepoxybutane (1464-53-5)

Identification
Name:Diepoxybutane
Synonyms:1,3-Butadiene diepoxide
CAS:1464-53-5
EINECS: 215-979-1
Molecular Formula: C4H6O2
Molecular Weight: 86.09
InChI: InChI=1/C4H6O2/c1-3(5-1)4-2-6-4/h3-4H,1-2H2
Molecular Structure: (C4H6O2) 1,3-Butadiene diepoxide
Properties
Transport:UN 3384
Melting Point: 2-4 °C(lit.)
Flash Point: 40°C
Boiling Point: 56-58 °C25 mm Hg(lit.)
Density:1.751g/cm3
Refractive index:1.434
Solubility:In water, 1X10+6 mg/l
Specification:

The 1,1'-Bi(ethylene oxide), with the cas registry number 1464-53-5, has its systematic name of 2-(oxiran-2-yl)oxirane. This is a kind of light yellow liquid. When store, it should be kept in the dry, cool, well-ventilated room with the temperature of 0-6°C, away from the food material. This chemical is mainly used in curing polymers ; crosslinking textile fibers and to prevent spoilage.

The characteristics of this chemical are as followings: (1)#H bond acceptors: 2 ; (2)#Freely Rotating Bonds: 1; (3)Polar Surface Area: 25.06; (4)Index of Refraction: 1.546; (5)Molar Refractivity: 19.7 cm3; (6)Molar Volume: 62.2 cm3; (7)Polarizability: 7.81× 10-24 cm3; (8)Surface Tension: 63.3 dyne/cm; (9)Density: 1.383 g/cm3; (10)Flash Point: 45.6 °C; (11)Enthalpy of Vaporization: 35.98 kJ/mol; (12)Boiling Point: 138 °C at 760 mmHg; (13)Vapour Pressure: 8.53 mmHg at 25°C.

You should be cautious while dealing with this chemical. For being a kind of toxic chemical, it is harmful if swallowed or by inhalation. Then it may at very low levels cause damage to health, and may even cause cancer and heritable genetic damage. Besides, it may cause burns. Therefore, you should take the following instructions. Avoid exposure - obtain special instructions before use, and if in case of accident or if you feel unwell, seek medical advice immediately (show the label where possible).
 
Addtionally, the following datas could be converted inte the molecular structure:
(1)SMILES:C1OC1C2CO2
(2)InChI:InChI=1/C4H6O2/c1-3(5-1)4-2-6-4/h3-4H,1-2H2
(3)InChIKey:ZFIVKAOQEXOYFY-UHFFFAOYAG

Below are the toxicity information of this chemical:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 31mg/kg (31mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 230, Pg. 559, 1957.
 
mouse LD50 oral 72mg/kg (72mg/kg)   Shell Chemical Company. Unpublished Report. Vol. -, Pg. 2, 1961.
rabbit LD50 skin 89uL/kg (0.089mL/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
rat LC50 inhalation 90ppm/4H (90ppm)   Shell Chemical Company. Unpublished Report. Vol. -, Pg. 2, 1961.
rat LD50 oral 78mg/kg (78mg/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.

Report:

NTP 10th Report on Carcinogens. EPA Extremely Hazardous Substances List. EPA Genetic Toxicology Program. Community Right-To-Know List. Reported in EPA TSCA Inventory.

Packinggroup: II
Flash Point: 40°C
Storage Temperature: 0-6°C
Color: Water-white
Safety Data
Hazard Symbols T+: Very toxic
 

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