1,6-Bis(2-oxiranylmethyl) hexanedioate

HCID 75987

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Basic information

CAS: 2754-17-8
Standard SMILES: O=C(CCCCC(=O)OCC1CO1)OCC1CO1
InChIKey: KBWLNCUTNDKMPN-UHFFFAOYSA-N
Molecular formula: C12H18O6
Average molar mass: 258.27 g/mol
Monoisotopic mass: 258.11033829

Names & identifiers

Preferred name: 1,6-Bis(2-oxiranylmethyl) hexanedioate
IUPAC: bis(oxiran-2-ylmethyl) hexanedioate
English name: bis(2,3-epoxypropyl) adipate
Molecular formula: C12H18O6
Molecular weight: 258.27

Names & synonyms

Bis(2,3-epoxypropyl) adipate2754-17-81,6-Bis(2-oxiranylmethyl) hexanedioateRefChem:1053487220-403-7bis(oxiran-2-ylmethyl) hexanedioate1,6-bis[(oxiran-2-yl)methyl] hexanedioateBis(oxiran-2-ylmethyl) adipateEINECS 220-403-7diglycidyl adipateHexanedioic acid, bis(oxiranylmethyl) esterbis(2,3-epoxypropyl)adipate

Show more names

Adipic acid diglycidyl esterHexanedioic acid bis[(oxiran-2-yl)methyl] esterHexanedioic acid, 1,6-bis(2-oxiranylmethyl) ester

Hexanedioic acid,1,6-bis(2-oxiranylmethyl) esterSCHEMBL138018DTXSID80950216Bis[(oxiran-2-yl)methyl] hexanedioateDB-171555NS00049024

Database identifiers

CAS: 2754-17-8
PubChem CID: 75987
DTXSID: DTXSID80950216
EC Number: 220-403-7
Nikkaji: J299.213B

Properties

Computed structural properties

XLogP: 0
Topological polar surface area: 77.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 11
Heavy atoms: 18
Formal charge: 0
Complexity: 273

Physicochemical properties

Boiling point: 371.2 · 371.2±22.0 °C(Predicted)
Density: 1.24 · 1.240±0.06 g/cm3(Predicted)
InChI: InChI=1S/C12H18O6/c13-11(17-7-9-5-15-9)3-1-2-4-12(14)18-8-10-6-16-10/h9-10H,1-8H2
InChIKey: KBWLNCUTNDKMPN-UHFFFAOYSA-N
SMILES: C(OCC1CO1)(=O)CCCCC(OCC1CO1)=O
EPA Substance Registry System: Bis(2,3-epoxypropyl) adipate (2754-17-8)