ethyl citronellate

General Material Information

Preferred name	ethyl citronellate
Trivial Name	ethyl 3,7-dimethyloct-6-enoate
Short Description	ethyl 3,7-dimethyl-6-octenoate
Formula	C12 H22 O2
CAS Number	26728-44-9
FDA UNII	Search
Nikkaji Number	J426.199B
xLogP3-AA	3.70 (est)
NMR Predictor	External link
Synonyms	citronellic acid ethyl ester ethyl 3,7-dimethyl-6-octenoate ethyl 3,7-dimethyloct-6-enoate

(IUPAC):	Atomic Weights of the Elements 2011 (pdf)
Videos:	The Periodic Table of Videos
tgsc:	Atomic Weights use for this web site
(IUPAC):	Periodic Table of the Elements
HMDB (The Human Metabolome Database):	Search
Export Tariff Code:	2916.19.5000
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View

Kingchem Laboratories	Penta International
Penta International Corporation

Material listed in food chemical codex	No
Molecular weight	198.30574035645
Specific gravity	@ 25 °C
Pounds per Gallon	7.372 to 7.439
Refractive Index	1.436 to 1.443 @ 20 °C
Vapor Pressure	0.026 mmHg @ 25 °C
Flash Point TCC Value	103.89 °C TCC
logP (o/w)	4.196 est
Solubility
alcohol	Yes
water, 5.686 mg/L @ 25 °C (est)	Yes
water	No

Odor Type: Fruity
fruity, dry, dusty, citrus, licorice, rose, spicy, fennel
Luebke, William tgsc, (2016)	At 100.00 %. fruity dry dusty citrus sweet licorice rose spicy fennel
Flavor Type: Dusty
dusty, dry, anise, licorice, fennel, weedy
Luebke, William tgsc, (2016)	Sweet dusty dry anise licorice fennel weedy

Applications	flavor and fragrance agents
Odor purposes	Abronia, Ash mountain ash berry, Bergamot, Calamus oil replacer, Cedrat, Cilantro, Citronella, Citrus, Cologne, Colonia, Ginger, Grapefruit, Kumquat, Lemon, Lemongrass, Lime, Litsea cubeba, Mandarin, Melissa oil replacer, Mock orange, Orange, Orange bitter orange peel, Rhubarb, Tangerine, Verbena
Flavoring purposes	Cilantro, Curacao, Litsea cubeba, Necterine, Orange bitter orange peel


Hazards identification

Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements

Pictogram

Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Category:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :549715

National Institute of Allergy and Infectious Diseases:Data

ethyl 3,7-dimethyloct-6-enoate