Dibutyl adipate

C₁₄H₂₆O₄CAS 105-99-7258.36 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₂₆O₄
Molar mass: 258.36 g/mol
Exact mass: 258.1831 Da
Density: 0.956 g/mL (at 20 °C)
Melting point: −32.4 °C
Boiling point: 145 °C (at 4 Torr)
logP: 3.23Crippen estimate
Polar surface area: 52.6 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 11

Identifiers

CAS number

105-99-7

SMILES

CCCCOC(=O)CCCCC(=O)OCCCC

InChIKey

XTJFFFGAUHQWII-UHFFFAOYSA-N

InChI

InChI=1S/C14H26O4/c1-3-5-11-17-13(15)9-7-8-10-14(16)18-12-6-4-2/h3-12H2,1-2H3

Weigh it out

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

Names and synonyms

17 names · show all

Hexanedioic acid, 1,6-dibutyl ester
Adipic acid, dibutyl ester
Hexanedioic acid, dibutyl ester
3PS
Di-n-butyl adipate
Experimental tick repellent 3
Experimental tick repellent 3PS
Butyl adipate
Dibutyl hexanedioate
Adipic acid di-n-butyl ester
Polycizer W 260
Cetiol B
Monocizer W 260
NSC 8086
W 260
Adimoll DB
1,6-Dibutyl hexanedioate

Work with Dibutyl 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

Dibutyl sebacate109-43-396 % similar Dibutyl azelate2917-73-996 % similar Butyl hexanoate626-82-496 % similar Butyl laurate106-18-392 % similar Butyl myristate110-36-192 % similar Butyl palmitate111-06-892 % similar Butyl stearate123-95-592 % similar Butyl decanoate30673-36-092 % similar

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

Same formula

Diethyl sebacate110-40-7 Diisobutyl adipate141-04-8 1,12-Dimethyl dodecanedioate1731-79-9 1,3-Diethyl 2-ethyl-2-(1-methylbutyl)propanedioate76-72-2 Diethyl ethylisoamylmalonate77-24-7 Tetradecanedioic acid821-38-5

Elsewhere

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