Propyl benzoate

Propyl benzoate

IUPAC name Propyl benzoate
Other names n-propyl benzoate, benzoic acid propyl ester
Identifiers
CAS number	2315-68-6^N=
PubChem	16846
ChemSpider	15965^Y
EC number	219-020-8
Jmol-3D images	Image 1
SMILES O=C(OCCC)c1ccccc1
InChI InChI=1S/C10H12O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3^Y Key: UDEWPOVQBGFNGE-UHFFFAOYSA-N^Y InChI=1/C10H12O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3 Key: UDEWPOVQBGFNGE-UHFFFAOYAH
Properties
Molecular formula	C₁₀H₁₂O₂
Molar mass	164.201 g/mol
Appearance	colorless oily liquid, nutty odor
Density	1.0230 g/cm³ at 20 °C
Melting point	−51.6 °C
Boiling point	230 °C^[1]
Solubility in water	insoluble
Solubility	miscible with ethanol, diethyl ether^[2]
Hazards
Flash point	98 °C^[1]
Related compounds
Related compounds	Methyl benzoate Ethyl benzoate
N (verify) (what is: Y/N?) Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa)
Infobox references

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.^[1]^[3]

Reactions

Propyl benzoate can be synthesized by the esterification of methyl benzoate with propanol.^[3]

References

^ ^a ^b ^c Ash, Michael; Ash, Irene (2004). Handbook of Preservatives. Synapse Information Resources. p. 508. ISBN 1890595667. http://books.google.com/?id=XZ2QB7bu5LwC&pg=PA404. Retrieved 2009-05-04.
^ Lide, David R. (1998). Handbook of Chemistry and Physics (87 ed.). Boca Raton, FL: CRC Press. pp. 3–484. ISBN 0849305942.
^ ^a ^b Burdock, George A. (1997). Encyclopedia of Food and Color Additives. CRC Press. pp. 2340. ISBN 9780849394164. http://books.google.com/?id=JAVvqWBsBK0C&pg=PA2340&dq=%22Propyl+benzoate%22.