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| CAS No.: | 2425-79-8 |
|---|---|
| Name: | 1,4-Butanediol diglycidyl ether |
| Molecular Structure: | |
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| Formula: | C10H18O4 |
| Molecular Weight: | 202.251 |
| Synonyms: | Butane,1,4-bis(2,3-epoxypropoxy)- (6CI,8CI);1,4-Bis(2,3-epoxypropoxy)butane;1,4-Bis(2,3-epoxypropyloxy)butane;1,4-Bis(glycidyloxy)butane;1,4-Butanedioldiglycidyl ether;1,4-Butylene glycoldiglycidyl ether;1,4-Diglycidyloxybutane;Tetramethyleneglycol diglycidyl ether;BDDGE;NSC 24834; |
| EINECS: | 219-371-7 |
| Density: | 1.117 g/cm3 |
| Melting Point: | -21 °C |
| Boiling Point: | 266 °C at 760 mmHg |
| Flash Point: | 122.1 °C |
| Solubility: | Soluble in water |
| Appearance: | Clear pale yellow liquid |
| Hazard Symbols: |
 Xn
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| Risk Codes: | 20/21-36/38-43 |
| Safety: | 26-28-37/39-28B |
| PSA: | 43.52000 |
| LogP: | 0.59740 |
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The 1,4-Butanediol diglycidyl ether with CAS registry number of 2425-79-8 is also known as Oxirane,2,2'-[1,4-butanediylbis(oxymethylene)]bis-. The IUPAC name is 2-[4-(Oxiran-2-ylmethoxy)butoxymethyl]oxirane. It belongs to product categories of Epoxy Diluents; Oxiranes; Simple 3-Membered Ring Compounds; Epoxide Monomers; Monomers; Polymer Science. Its EINECS registry number is 219-371-7. In addition, the formula is C10H18O4 and the molecular weight is 202.25. This chemical is a clear pale yellow liquid and should be sealed in cool, dry place away from oxidants and water.
Physical properties about 1,4-Butanediol diglycidyl ether are: (1)ACD/LogP: 0.27; (2)ACD/LogD (pH 5.5): 0.27; (3)ACD/LogD (pH 7.4): 0.27; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 33.39; (7)ACD/KOC (pH 7.4): 33.39; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 9; (10)Index of Refraction: 1.475; (11)Molar Refractivity: 51.01 cm3; (12)Molar Volume: 180.9 cm3; (13)Surface Tension: 43.4 dyne/cm; (14)Density: 1.117 g/cm3; (15)Flash Point: 122.1 °C; (16)Enthalpy of Vaporization: 48.36 kJ/mol; (17)Boiling Point: 266 °C at 760 mmHg; (18)Vapour Pressure: 0.0146 mmHg at 25 °C.
Preparation of 1,4-Butanediol diglycidyl ether: it is prepared by condensation reaction of 1,4-butanediol with epichlorohydrin. The reaction needs phase transfer catalyst at the temperature of 40 °C for 1 hour under stirring. At last, product is obtained by filtration, drying and distillation.
Uses of 1,4-Butanediol diglycidyl ether: it is used to produce1,4-bis-(3-bromo-2-trimethylsilanyloxy-propoxy)-butane by reaction with bromo-trimethyl-silane. The reaction occurs with reagent CHCl3 at the temperature of -60 ~ -40 °C. The yield is about 59%.
When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, skin and it is harmful by inhalation and in contact with skin. Besides, this chemical may cause sensitisation by skin contact. During using it, wear suitable gloves and eye/face protection. After contact with skin, wash immediately. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1C(O1)COCCCCOCC2CO2
2. InChI: InChI=1S/C10H18O4/c1(3-11-5-9-7-13-9)2-4-12-6-10-8-14-10/h9-10H,1-8H2
3. InChIKey: SHKUUQIDMUMQQK-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| hamster | LD50 | oral | 3462mg/kg (3462mg/kg) | SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE LUNGS, THORAX, OR RESPIRATION: DYSPNEA SKIN AND APPENDAGES (SKIN): HAIR: OTHER | National Technical Information Service. Vol. OTS0523586, |
| mouse | LD50 | oral | 1100ug/kg (1.1mg/kg) | National Technical Information Service. Vol. OTS0555389, | |
| rabbit | LD50 | skin | 1130mg/kg (1130mg/kg) | AMA Archives of Industrial Health. Vol. 20, Pg. 390, 1959. | |
| rat | LC | inhalation | > 250ppm/6H (250ppm) | National Technical Information Service. Vol. OTS0555389, | |
| rat | LD50 | oral | 1134mg/kg (1134mg/kg) | SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SKIN AND APPENDAGES (SKIN): HAIR: OTHER | Office of Toxic Substances Report. Vol. OTS0206386, |
