Diisooctyl 1,2-cyclohexanedicarboxylate

C₂₄H₄₄O₄CAS 84-71-9396.61 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₄H₄₄O₄
Molar mass: 396.61 g/mol
Exact mass: 396.3240 Da
logP: 6.31Crippen estimate
Polar surface area: 52.6 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 14

Hazards

Warning

H315 Causes skin irritation14.3% of notifiers
H319 Causes serious eye irritation28.6% of notifiers
H335 May cause respiratory irritation28.6% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

84-71-9

SMILES

CCCCC(CC)COC(=O)C1CCCCC1C(=O)OCC(CC)CCCC

InChIKey

DIMOQAGSNHTROK-UHFFFAOYSA-N

InChI

InChI=1S/C24H44O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h19-22H,5-18H2,1-4H3

Weigh it out

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Names and synonyms

8 names

1,2-Cyclohexanedicarboxylic acid, 1,2-bis(2-ethylhexyl) ester
1,2-Cyclohexanedicarboxylic acid, bis(2-ethylhexyl) ester
Bis(2-ethylhexyl) cyclohexane-1,2-dicarboxylate
Bis(2-ethylhexyl) hexahydrophthalate
Di(2-ethylhexyl) hexahydrophthalate
Dioctyl 1,2-cyclohexanedicarboxylate
Bis(2-ethylhexyl) cyclohexane-1,2-carboxylate
Nan ya DPEH

Work with Diisooctyl 1,2-cyclohexanedicarboxylate

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

2-Ethylhexyl acetate103-09-361 % similar 2-Ethylhexyl peroxydicarbonate16111-62-961 % similar 2-Ethylhexyl chloroformate24468-13-161 % similar Bis(2-ethylhexyl) adipate103-23-159 % similar 2-Ethylhexyl fumarate141-02-659 % similar Bis(2-ethylhexyl) maleate142-16-559 % similar Dioctyl azelate103-24-258 % similar Dioctyl sebacate122-62-358 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Cyclohexane-1,4-diylbismethylene bis(2-ethylhexanoate)53148-32-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook