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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

Benzoic acid, butyl ester

CCCCOC(=O)c1ccccc1 Request for Quotation
Chemical Name: Benzoic acid, butyl ester
CAS Number: 136-60-7
Product Number: AG007M9J(AGN-PC-00JFSE)
Synonyms:
MDL No:
Molecular Formula: C11H14O2
Molecular Weight: 178.2277

Identification/Properties

Computed Properties
Molecular Weight:
178.231g/mol
XLogP3:
3.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
5
Exact Mass:
178.099g/mol
Monoisotopic Mass:
178.099g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
148
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319
Precautionary Statements:
P301+P312+P330-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


Butyl benzoate is a versatile chemical compound commonly used in chemical synthesis for various applications. In the realm of organic chemistry, Butyl benzoate serves as an important ester, offering a wide range of utility in the synthesis of fragrances, flavors, and pharmaceuticals. Its distinctive fruity odor makes it a popular choice for enhancing the scent of products such as perfumes, lotions, and personal care items. Additionally, Butyl benzoate is utilized as a solvent, aiding in the creation and formulation of coatings, adhesives, and inks. Its compatibility with a variety of other chemicals makes it a valuable ingredient in the manufacturing of specialty chemicals and as a reaction medium in organic reactions. Overall, the application of Butyl benzoate in chemical synthesis is crucial for the production of a diverse array of compounds used in many industries.