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Bis(3,4-epoxybutyl) ether

HCID 25405
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Basic information

CAS
10580-77-5
Standard SMILES
C(CC1CO1)OCCC1CO1
InChIKey
CMZHETMDWDVBCX-UHFFFAOYSA-N
Molecular formula
C8H14O3
Average molar mass
158.19 g/mol
Monoisotopic mass
158.0942943

Names & identifiers

Preferred name
Bis(3,4-epoxybutyl) ether
IUPAC
2-[2-[2-(oxiran-2-yl)ethoxy]ethyl]oxirane
English name
Bis(2-oxiranylethyl) ether
Molecular formula
C8H14O3
Molecular weight
158.2

Names & synonyms

Bis(3,4-epoxybutyl) ether10580-77-5Bis(3,4-epoxybutyl)etherETHER, BIS(3,4-EPOXYBUTYL)UNII-181T45A7OH181T45A7OHOXIRANE, 2,2'-(OXYDI-2,1-ETHANEDIYL)BIS-RefChem:199891Bis(2-oxiranylethyl) ether2-[2-[2-(oxiran-2-yl)ethoxy]ethyl]oxiraneSCHEMBL1294405DTXSID60909742
Show more names
Oxirane, 2,2'-(oxydi-2,1-ethanediyl)bis- (9CI)
2,2'-[Oxydi(ethane-2,1-diyl)]bis(oxirane)Q27251960

Database identifiers

CAS
10580-77-5
PubChem CID
25405
DTXSID
DTXSID60909742
UNII
181T45A7OH
Nikkaji
J34.764G

Properties

Computed structural properties

XLogP
0.2
Topological polar surface area
34.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
11
Formal charge
0
Complexity
113

Physicochemical properties

Boiling point
223.28 °C · 223.28°C (rough estimate)
Density
1.0543 · 1.0543 (rough estimate)
refractive index
1.431 · 1.4310 (estimate)
FDA UNII
181 T45A7OH · 181T45A7OH

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