Citronellyl formate

Citronellyl formate
Names
	IUPAC name 3,7-dimethyloct-6-enyl formate
Identifiers
CAS Number	105-85-1;
3D model (JSmol)	Interactive image;
ChEBI	CHEBI:31406;
ChEMBL	ChEMBL3184928;
ChemSpider	7490;
ECHA InfoCard	100.003.036
EC Number	203-338-9;
KEGG	C12295;
PubChem CID	7778;
UNII	7B1MY2BRDK;
CompTox Dashboard (EPA)	DTXSID1044772 ;
	InChI InChI=1S/C11H20O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,9,11H,4,6-8H2,1-3H3 Key: DZNVIZQPWLDQHI-UHFFFAOYSA-N;
	SMILES CC(CCC=C(C)C)CCOC=O;
Properties
Chemical formula	C11H20O2
Molar mass	184.279 g·mol−1
Appearance	colourless
Odor	strong, fruity, floral
Density	0.897 g/cm3
Boiling point	235 °C (455 °F; 508 K)
Solubility in water	insoluble
Solubility	soluble in alcohol, most fixed oils; slightly soluble in propylene glycol; insoluble in glycerin
log P	3.800
Refractive index (nD)	1.443-1.452
Hazards
	GHS labelling:
Pictograms
Signal word	Warning
Hazard statements	H315, H317
Precautionary statements	P261, P264, P272, P280, P302+P352, P321, P333+P317, P362+P364, P501
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Citronellyl formate is a terpenoid ester derived from citronellol and formic acid.

Occurrence

Citronellyl formate is an important component of geranium oil from Pelargonium graveolens. In two studies, its concentration was around 10% (9.7% and 11%).^[2]^[3] Citronellyl formate is also found in kumquats, albeit in small amounts, but it is a characteristic component.^[4]

Usage

The compound is used as a fragrance, with worldwide usage in this area ranging from 10 to 100 tonnes per year.^[5] In the EU, it is approved under FL number 09.078 as a general food flavoring and may contain citronellol for this application.^[6]

References

1 2 PubChem. "Citronellyl formate". pubchem.ncbi.nlm.nih.gov. Retrieved 2026-09-26.
↑ O. A. Lawal, A. H. Hutchings, O. Oyedeji (November 2010), "Chemical Composition of the Leaf Oil of Plectranthus neochilus Schltr.", Journal of Essential Oil Research, vol. 22, no. 6, pp. 546–547, doi:10.1080/10412905.2010.9700396{{citation}}: CS1 maint: multiple names: authors list (link)
↑ V Rana (December 2002), "Chemical constituents of essential oil of Pelargonium graveolens leaves", International Journal of Aromatherapy, vol. 12, no. 4, pp. 216–218, doi:10.1016/S0962-4562(03)00003-1
↑ Hyang-Sook Choi (2005-03-01), "Characteristic Odor Components of Kumquat (Fortunella japonica Swingle) Peel Oil", Journal of Agricultural and Food Chemistry, vol. 53, no. 5, pp. 1642–1647, Bibcode:2005JAFC...53.1642C, doi:10.1021/jf040324x, PMID 15740053
↑ A.M. Api, D. Belsito, D. Botelho, M. Bruze, G.A. Burton, J. Buschmann, M.A. Cancellieri, M.L. Dagli, M. Date, W. Dekant, C. Deodhar, A.D. Fryer, L. Jones, K. Joshi, M. Kumar, A. Lapczynski, M. Lavelle, I. Lee, D.C. Liebler, H. Moustakas, M. Na, T.M. Penning, G. Ritacco, J. Romine, N. Sadekar, T.W. Schultz, D. Selechnik, F. Siddiqi, I.G. Sipes, G. Sullivan, Y. Thakkar, Y. Tokura (December 2021), "RIFM fragrance ingredient safety assessment, citronellyl formate, CAS Registry number 105-85-1", Food and Chemical Toxicology, vol. 158, doi:10.1016/j.fct.2021.112621, PMID 34673180{{citation}}: CS1 maint: multiple names: authors list (link)
↑ "Food and Feed Information Portal Database | FIP". Retrieved 2024-02-03.

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[PubChem-1] 1 2 PubChem. "Citronellyl formate". pubchem.ncbi.nlm.nih.gov. Retrieved 2026-09-26.

[2] O. A. Lawal, A. H. Hutchings, O. Oyedeji (November 2010), "Chemical Composition of the Leaf Oil of Plectranthus neochilus Schltr.", Journal of Essential Oil Research, vol. 22, no. 6, pp. 546–547, doi:10.1080/10412905.2010.9700396{{citation}}: CS1 maint: multiple names: authors list (link)

[3] V Rana (December 2002), "Chemical constituents of essential oil of Pelargonium graveolens leaves", International Journal of Aromatherapy, vol. 12, no. 4, pp. 216–218, doi:10.1016/S0962-4562(03)00003-1

[4] Hyang-Sook Choi (2005-03-01), "Characteristic Odor Components of Kumquat (Fortunella japonica Swingle) Peel Oil", Journal of Agricultural and Food Chemistry, vol. 53, no. 5, pp. 1642–1647, Bibcode:2005JAFC...53.1642C, doi:10.1021/jf040324x, PMID 15740053

[5] A.M. Api, D. Belsito, D. Botelho, M. Bruze, G.A. Burton, J. Buschmann, M.A. Cancellieri, M.L. Dagli, M. Date, W. Dekant, C. Deodhar, A.D. Fryer, L. Jones, K. Joshi, M. Kumar, A. Lapczynski, M. Lavelle, I. Lee, D.C. Liebler, H. Moustakas, M. Na, T.M. Penning, G. Ritacco, J. Romine, N. Sadekar, T.W. Schultz, D. Selechnik, F. Siddiqi, I.G. Sipes, G. Sullivan, Y. Thakkar, Y. Tokura (December 2021), "RIFM fragrance ingredient safety assessment, citronellyl formate, CAS Registry number 105-85-1", Food and Chemical Toxicology, vol. 158, doi:10.1016/j.fct.2021.112621, PMID 34673180{{citation}}: CS1 maint: multiple names: authors list (link)

[6] "Food and Feed Information Portal Database | FIP". Retrieved 2024-02-03.

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Citronellyl formate

Occurrence

Usage

References