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Propyl benzoate

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Propyl benzoate
Propyl benzoate
Names
Preferred IUPAC name Propyl benzoate
Other names n-propyl benzoate, benzoic acid propyl ester
Identifiers
CAS Number
3D model (JSmol)
ChEBI
ChemSpider
ECHA InfoCard 100.017.292 Edit this at Wikidata
EC Number
  • 219-020-8
PubChem CID
UNII
CompTox Dashboard (EPA)
InChI
  • InChI=1S/C10H12O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3Key: UDEWPOVQBGFNGE-UHFFFAOYSA-N
  • InChI=1/C10H12O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3Key: UDEWPOVQBGFNGE-UHFFFAOYAH
SMILES
  • O=C(OCCC)c1ccccc1
Properties
Chemical formula C10H12O2
Molar mass 164.201 g/mol
Appearance colorless oily liquid, nutty odor
Density 1.0230 g/cm at 20 °C
Melting point −51.6 °C (−60.9 °F; 221.6 K)
Boiling point 230 °C (446 °F; 503 K)
Solubility in water insoluble
Solubility miscible with ethanol, diethyl ether
Magnetic susceptibility (χ) -105.00·10 cm/mol
Hazards
Flash point 98 °C (208 °F; 371 K)
Safety data sheet (SDS) External MSDS
Related compounds
Related compounds Methyl benzoate
Ethyl benzoate
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). ☒verify (what is  ?) Infobox references
Chemical compound

Propyl benzoate is an organic chemical compound used as a food additive. It is an ester.

Uses

Propyl benzoate has a nutty odor and sweet fruity or nut-like taste, and as such, it is used as a synthetic flavoring agent in foods. It also has antimicrobial properties and is used as a preservative in cosmetics. It occurs naturally in the sweet cherry and in clove stems, as well as in butter.

Reactions

Propyl benzoate can be synthesized by the transesterification of methyl benzoate with propanol. Propyl benzoate can also be synthesized by means of Fischer esterification of benzoic acid with propanol.

References

  1. Lide, David R. (1998). Handbook of Chemistry and Physics (87 ed.). Boca Raton, Florida: CRC Press. pp. 3–484. ISBN 0-8493-0594-2.
  2. ^ Ash, Michael; Ash, Irene (2004). Handbook of Preservatives. Synapse Information Resources. p. 508. ISBN 1-890595-66-7. Retrieved 2009-05-04.
  3. ^ Burdock, George A. (1997). Encyclopedia of Food and Color Additives. CRC Press. p. 2340. ISBN 978-0-8493-9416-4.


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Esters
Methyl esters
Ethyl esters
Propyl esters
Butyl esters
Amyl esters
Hexyl esters
Phenyl esters
Heptyl esters
Benzyl esters
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