CITRONELLA

Description

CITRONELLA · CAS 106-23-0 · C10H18O. UNII QB99VZZ7GZ. Boiling Point: 205 °C; Boiling Point: 206.00 to 207.00 °C. @ 760.00 mm Hg; Boiling Point: 206 °C.

Identification

CAS Registry Number	106-23-0
PubChem CID	7794
Molecular formula	C10H18O
IUPAC name	3,7-dimethyloct-6-enal
UNII (FDA)	QB99VZZ7GZ
FEMA number	2307
JECFA number	1220

Computed Descriptors

Molecular Weight	154.25
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Exact Mass	154.135765193
Monoisotopic Mass	154.135765193
Topological Polar Surface Area	17.1
Heavy Atom Count	11
Formal Charge	0

Physical & Chemical Properties

Boiling Point	205 °C
Boiling Point	206.00 to 207.00 °C. @ 760.00 mm Hg
Boiling Point	206 °C
Melting Point	147 °C
Flash Point	165 °F (74 °C) (CLOSED CUP)
Density	0.853 g/cu cm at 20 °C
Density	0.850-0.860
Vapor Pressure	0.28 [mmHg]
Refractive Index	1.446-1.456

Physical description & handling notes

• Liquid
• Colorless to slightly yellow liquid with a strong flowery lemon odor; [HSDB]
• Solid
• colourless to slightly yellow liquid; intense lemon-citronella-rose aroma
• Needles or orthorhombic crystals
• Colorless to slightly yellow liquid

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Citrus, Fat, Leaf No safety concern at current levels of intake when used as a flavouring agent
GHS notification summary	0.1% (1 / 2050)

GHS Hazard Classification

GHS notification summary	0.1% (1 / 2050)
Reported hazard statements	H315, H317 (97.5%), H319 (99.4%), H411 (77.9%), H227, H335, H401

Documented Uses

• Main component of citronella oil; Present in many other volatile oils; [Merck Index] Used as flavoring agent, insect repellent, fragrance (soaps, detergents, creams, lotions, and perfumes), and chemical intermediate for citronellol and hydroxycitronellal; [HSDB]
• In soap perfumes; insect repellant.
• Citronellal is used in small amounts for scenting soaps and detergents. Its principal application is in the preparation of isopulegol, citronellol, and hydroxycitronellal.
• Among the plant families with promising essential oils used as repellents, Cymbopogon spp., Ocimum spp. and Eucalyptus spp. are the most cited. Individual compounds present in these mixtures with high repellent activity include alpha-pinene, limonene, citronellol, citronellal, camphor and thymol. Finally, although from an economical point of view synthetic chemicals are still more frequently used as repellents than essential oils, these natural products have the potential to provide efficient, and safer repellents
• Table: Reported uses (ppm): (Flavor and Extract Manufacturers' Association, 1994) [Table#1696]
• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Synonyms

CITRONELLAL; 106-23-0; 3,7-Dimethyloct-6-enal; 3,7-Dimethyl-6-octenal; 6-Octenal, 3,7-dimethyl-; 2,3-Dihydrocitral; Citronella; Citronellel; beta-Citronellal; 3,7-Dimethyl-6-octen-1-al; FEMA No. 2307; DTXSID3041790; QB99VZZ7GZ; NSC-46106; CHEBI:47856; DTXCID1021790

Frequently Asked Questions

What are the CAS number and molecular formula of CITRONELLA?

CAS 106-23-0; molecular formula C10H18O; molecular weight — g/mol.

What other names is CITRONELLA known by?

CITRONELLAL, 106-23-0, 3,7-Dimethyloct-6-enal, 3,7-Dimethyl-6-octenal, 6-Octenal, 3,7-dimethyl-, 2,3-Dihydrocitral.

What is the regulatory status of CITRONELLA?

Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.

Is CITRONELLA classified as hazardous?

0.1% of GHS notifications report no hazard classification (1 of 2050).

What are the key physical properties of CITRONELLA?

Boiling Point: 205 °C; Boiling Point: 206.00 to 207.00 °C. @ 760.00 mm Hg; Boiling Point: 206 °C; Melting Point: 147 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.