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Butyl benzoate

CAT: 0024-sc-239438Size: 250 gDry Ice: NoHazardous: No
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CAT#:0024-sc-239438Size:250 g
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CAS Number
136-60-7

Chemical Information

Butyl Benzoate

Butyl benzoate is a benzoate ester obtained by condensation of benzoic acid and butanol. It is used as a perfume ingredient and as a solvent for cellulose ether, a dye carrier for textiles. It has a role as a fragrance, an antimicrobial food preservative and a plant metabolite.

CAS Number136-60-7
PubChem CID8698
IUPAC Namebutyl benzoate
Molecular FormulaC11H14O2
Molecular Weight178.23
XLogP3.8
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count13
Formal Charge0
Complexity148
SMILES
CCCCOC(=O)C1=CC=CC=C1
InChI
InChI=1S/C11H14O2/c1-2-3-9-13-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
InChIKey
XSIFPSYPOVKYCO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Butyl Benzoate
CAS: 136-60-7
CID: 8698
Formula: C11H14O2
MW: 178.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight178.23
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass178.099379685
Monoisotopic Mass178.099379685
Topological Polar Surface Area26.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity148
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
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sc-338043Methyl-3-tert-butyl-5-bromo-benzoate
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sc-491996Butyl 4-[ (5-bromo-2-hydroxybenzyl) amino]benzoate
sc-494985Butyl 4-[ (3-ethoxy-2-hydroxybenzyl) amino]benzoate
sc-493471Butyl 4-[ (2-hydroxy-3-methoxybenzyl) amino]benzoate
sc-492510Butyl 4-{[ (1E) - (3-ethoxy-2-hydroxyphenyl) methylene]amino}benzoate

Alternative Products

CatalogName
TRC-B120000-5GButyl Benzoate
HY-W016599RButyl benzoate (Standard)
B27670-01Butyl benzoate 98%
OR1086815-01Tert-butyl 3- (tert-butyl) benzoate
B27680-01Tert-Butyl benzoate 95%
033605Butyl- p-Hydroxy Benzoate
WEA50608-01Tert-Butyl 2- (methylamino) benzoate
BFA06263-01Tert-Butyl 3- (bromomethyl) benzoate
467113-01Tert-Butyl 3- (Chlorosulfonyl) -benzoate
PC1011683-01Tert-butyl 4- (trifluoromethoxy) benzoate

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