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Molecule
1,4-Butanediol Diglycidyl Ether
CAS: 2425-79-8 · C10H18O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2425-79-8
- Molecular Formula
- C10H18O4
- Molecular Mass
- 202.25 g/mol
Identifiers
CAS Registry Number
2425-79-8
SMILES
C(CCOCC1CO1)COCC1CO1
InChI Key
SHKUUQIDMUMQQK-UHFFFAOYSA-N
InChI
InChI=1S/C10H18O4/c1(3-11-5-9-7-13-9)2-4-12-6-10-8-14-10/h9-10H,1-8H2
Names and Synonyms
- 1,4-Butanediol Diglycidyl Ether Synonym
- Oxirane, 2,2′-[1,4-butanediylbis(oxymethylene)]bis- Synonym
- Butane, 1,4-bis(2,3-epoxypropoxy)- Synonym
- 2,2′-[1,4-Butanediylbis(oxymethylene)]bis[oxirane] Synonym
- 1,4-Butanediol diglycidyl ether Synonym
- 1,4-Bis(2,3-epoxypropoxy)butane Synonym
- Tetramethylene glycol diglycidyl ether Synonym
- 1,4-Bis(glycidyloxy)butane Synonym
- [Tetramethylenebis(oxymethylene)]dioxirane Synonym
- 1,4-Bis(2,3-epoxypropyloxy)butane Synonym
- 1,4-Diglycidyloxybutane Synonym
- 1,4-Butylene glycol diglycidyl ether Synonym
- NSC 24834 Synonym
- BDDGE Synonym
- 1,4-Bis(oxiran-2-ylmethoxy)butane Synonym
- Diluent 600 Synonym
- 2-[4-(Oxiran-2-ylmethoxy)butoxymethyl]oxirane Synonym
- BDDE Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 202.25 g/mol | CAS Common Chemistry |
| 202.24999999999994 g/mol | RDKit | |
| Density | 1.10 g/cm³ | CAS Common Chemistry |
| 1.1 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/1,4-Butanediol_diglycidyl_ether | CAS Common Chemistry |
| Boiling Point | 155-160 °C | CAS Common Chemistry |
| Canonical SMILES | O(CCCCOCC1OC1)CC2OC2 | CAS Common Chemistry |
| InChI | InChI=1S/C10H18O4/c1(3-11-5-9-7-13-9)2-4-12-6-10-8-14-10/h9-10H,1-8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=SHKUUQIDMUMQQK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,4-Butanediol diglycidyl ether | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 43.519999999999996 Ų | RDKit |
| 43.52 Ų | RDKit | |
| LogP | 0.5973999999999999 | RDKit |
| 0.5974 | RDKit | |
| Molar Refractivity | 50.35200000000005 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 202.120509056 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 202.25 g/mol; density = 1.100 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H18O4.
