Isobutyl benzoate - CAS 120-50-3
Catalog number: 120-50-3
Category: Main Product
Molecular Formula:
C11H14O2
Molecular Weight:
178.23
COA:
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Purity:
95%
Appearance:
clear colorless liquid
Synonyms:
(2-methyl-1-propyl)benzoate; Benzoicacid,2-methylpropylester; benzoicacid2-methylpropylester; ISOBUTYL BENZOATE; FEMA 2185; BENZOIC ACID ISOBUTYL ESTER
MSDS:
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Quantity:
Data not available, please inquire.
Boiling Point:
240-242ºC
Density:
0.999
InChIKey:
KYZHGEFMXZOSJN-UHFFFAOYSA-N
InChI:
InChI=1S/C11H14O2/c1-9(2)8-13-11(12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
Canonical SMILES:
CC(C)COC(=O)C1=CC=CC=C1
Physical Description:
Isobutyl benzoate 98% (100g)
1.Surfactant properties of ionic liquids containing short alkyl chain imidazolium cations and ibuprofenate anions.
Tourné-Péteilh C1, Devoisselle JM, Vioux A, Judeinstein P, In M, Viau L. Phys Chem Chem Phys. 2011 Sep 14;13(34):15523-9. doi: 10.1039/c1cp21057b. Epub 2011 Jul 28.
Interfacial tension, electrical conductivity, NMR self-diffusion and DLS experiments have been used to investigate the self-aggregation in water of ionic liquids associating an ibuprofenate anion and 1-alkyl-3-methylimidazolium [C(n)MIm](+) (n = 4, 6, 8) cations. Despite the short alkyl chain on imidazolium cations (n ≤ 8), these ionic liquids exhibit particularly low Critical Aggregation Concentrations (CAC), significantly lower than their parent 1-alkyl-3-methylimidazolium chloride salts. This behaviour is attributed to the formation of catanionic pairs between ibuprofenate and imidazolium.
2.Acridinylresorcinol as a self-complementary building block of robust hydrogen-bonded 2D nets with coordinative saturation. Preservation of crystal structures upon guest alteration, guest removal, and host modification.
Tanaka T1, Tasaki T, Aoyama Y. J Am Chem Soc. 2002 Oct 23;124(42):12453-62.
Acridinylresorcinol host 3 (9-(3,5-dihydroxy-1-phenyl)acridine) forms such adducts as 3.(benzene), 3.(chloroform), 3.0.5(toluene), and 3.(isobutyl benzoate). Modified acridinol host 4 (9-(3,5-dihydroxy-1-phenyl)-4-hydroxyacridine) having an additional OH group on the acridine ring affords such adducts as 4.(benzene), 4.(chloroform), 4.0.5(toluene).0.5(water), 4.(methanol).(water), and 4.(ethyl acetate). In the crystals, hosts 3 and 4 form hydrogen-bonded (O-H...O-H) poly(resorcinol) chains which are linked together via interchain O-H...N hydrogen bonds to give a coordinatively saturated (O-H...O-H...N) 2D net composed of doubly hydrogen-bonded and antiparallel-stacked, self-complementary cyclic dimer 3(2) or 4(2) as a rigidified building block, the otherwise flexible O-H...O-H hydrogen bonds being thereby taken in a cyclophane-like structure. This network turns out to be remarkably well preserved among the above adducts. Guest molecules, which are disordered in many cases, are incorporated in the cavities left.
3.[Rationale for maximum allowable concentration of isobutyl benzoate in atmospheric air of populated areas].
Murkova MV, Novikov SM, Melńikova NN, Neriueva VV, Semenovykh LN. Gig Sanit. 1994 Feb;(2):15-6.
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CAS 120-50-3 Isobutyl benzoate

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