Bis(3,4-epoxycyclohexylmethyl) adipate

C₂₀H₃₀O₆CAS 3130-19-6366.45 g/mol

Open in Covalent MOL file

Epoxide Ester Ether

Properties

Molecular formula: C₂₀H₃₀O₆
Molar mass: 366.45 g/mol
Exact mass: 366.2042 Da
logP: 2.77Crippen estimate
Polar surface area: 77.7 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 9

Hazards

Warning

H302 Harmful if swallowed30.7% of notifiers
H317 May cause an allergic skin reaction23.4% of notifiers
H319 Causes serious eye irritation31.4% of notifiers

Aggregated from 137 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, P501

Identifiers

CAS number

3130-19-6

SMILES

O=C(CCCCC(=O)OCC1CCC2OC2C1)OCC1CCC2OC2C1

InChIKey

DJUWPHRCMMMSCV-UHFFFAOYSA-N

InChI

InChI=1S/C20H30O6/c21-19(23-11-13-5-7-15-17(9-13)25-15)3-1-2-4-20(22)24-12-14-6-8-16-18(10-14)26-16/h13-18H,1-12H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names

Bis[(3,4-epoxycyclohexyl)methyl] adipate
Hexanedioic acid, 1,6-bis(7-oxabicyclo[4.1.0]hept-3-ylmethyl) ester
Adipic acid, diester with 7-oxabicyclo[4.1.0]heptane-3-methanol
Hexanedioic acid, bis(7-oxabicyclo[4.1.0]hept-3-ylmethyl) ester
7-Oxabicyclo[4.1.0]heptane-3-methanol, adipate (2:1)
7-Oxabicyclo[4.1.0]heptane, hexanedioic acid deriv.
Bis(7-oxabicyclo[4.1.0]hept-3-ylmethyl) hexanedioate
Bis(3,4-epoxycyclohexylmethyl) hexanedioate
TTA 26
Di(3,4-epoxycyclohexylmethyl) adipate

Work with Bis(3,4-epoxycyclohexylmethyl) adipate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,4-Epoxycyclohexylmethyl-3',4'-epoxycyclohexane carboxylate2386-87-057 % similar Bis(2-ethylhexyl) adipate103-23-149 % similar Dioctyl azelate103-24-248 % similar Dioctyl sebacate122-62-348 % similar Ethylhexyl palmitate29806-73-346 % similar Diisobutyl adipate141-04-846 % similar trans-9,10-Epoxystearic acid methyl ester6084-76-043 % similar Isobutyl hexanoate105-79-341 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Dibutoxy ethyl phthalate117-83-9

Elsewhere

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