Propyl benzoate

Propyl benzoate
Names
	IUPAC name Propyl benzoate
	Other names n-propyl benzoate, benzoic acid propyl ester
Identifiers
CAS Number	2315-68-6 ;
3D model (JSmol)	Interactive image;
ChEBI	CHEBI:156072;
ChemSpider	15965 ;
ECHA InfoCard	100.017.292
EC Number	219-020-8;
PubChem CID	16846;
UNII	VWK210B7WS ;
CompTox Dashboard (EPA)	DTXSID4044878 ;
	InChI InChI=1S/C10H12O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3 Key: UDEWPOVQBGFNGE-UHFFFAOYSA-N ; InChI=1/C10H12O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3 Key: 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/cm3 at 20 °C
Melting point	−51.6 °C (−60.9 °F; 221.6 K)
Boiling point	230 °C (446 °F; 503 K)[1]
Solubility in water	insoluble
Solubility	miscible with ethanol, diethyl ether[2]
Magnetic susceptibility (χ)	-105.00·10−6 cm3/mol
Hazards
Safety data sheet	External MSDS
Flash point	98 °C (208 °F; 371 K)[1]
Related compounds
Related compounds	Methyl benzoate; Ethyl benzoate
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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	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 transesterification of methyl benzoate with propanol.[3] Propyl benzoate can also be synthesized by means of Fischer esterification of benzoic acid with propanol.

References

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

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[BookPreserv-1] Ash, Michael; Ash, Irene (2004). Handbook of Preservatives. Synapse Information Resources. p. 508. ISBN 1-890595-66-7. Retrieved 2009-05-04.

[hand-2] Lide, David R. (1998). Handbook of Chemistry and Physics (87 ed.). Boca Raton, Florida: CRC Press. pp. 3–484. ISBN 0-8493-0594-2.

[encyc-3] Burdock, George A. (1997). Encyclopedia of Food and Color Additives. CRC Press. p. 2340. ISBN 978-0-8493-9416-4.