Citronellyl Acetate

Description

Citronellyl Acetate · CAS 150-84-5 · C12H22O2. UNII IZ420RT3OY. Boiling Point: 229.00 °C. @ 760.00 mm Hg; Boiling Point: 229 °C; Density: 0.883-0.893.

Identification

CAS Registry Number	150-84-5
PubChem CID	9017
Molecular formula	C12H22O2
IUPAC name	3,7-dimethyloct-6-enyl acetate
UNII (FDA)	IZ420RT3OY
FEMA number	2311
JECFA number	57

Computed Descriptors

Molecular Weight	198.30
XLogP3	3.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	7
Exact Mass	198.161979940
Monoisotopic Mass	198.161979940
Topological Polar Surface Area	26.3
Heavy Atom Count	14
Formal Charge	0

Physical & Chemical Properties

Boiling Point	229.00 °C. @ 760.00 mm Hg
Boiling Point	229 °C
Density	0.883-0.893
LogP	4.220
Refractive Index	1.440-1.450

Physical description & handling notes

• Liquid
• colourless liquid/fruity odour
• soluble in alcohol, most fixed oils; insoluble in glycerol, propylene glycol, water
• 1 ml in 9 ml 70% alcohol (in ethanol)

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Dust, Floral, Fragant, Rose No safety concern at current levels of intake when used as a flavouring agent

GHS Hazard Classification

Reported hazard statements	H315, H319 (14.5%), H411 (97.6%)

Documented Uses

• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• Information on 41 consumer products that contain Citronellyl Acetate in the following categories is provided:
• IFRA 51st Amendment - Guidance for the use of IFRA Standards
• Restriction: This material should be used only in the limited quantity as stated in the Standard
• DERMAL SENSITIZATION AND SYSTEMIC TOXICITY

Synonyms

Citronellyl acetate; 150-84-5; 3,7-dimethyloct-6-enyl acetate; 3,7-Dimethyl-6-octen-1-yl acetate; Acetic acid, citronellyl ester; 6-Octen-1-ol, 3,7-dimethyl-, 1-acetate; 2-Octen-8-ol, 2,6-dimethyl-, acetate; FEMA No. 2311; FEMA No. 2981; IZ420RT3OY; DTXSID5051739; NSC-4893; RefChem:32710; DTXCID5030294; 205-775-0; 266-837-0

Frequently Asked Questions

What are the CAS number and molecular formula of Citronellyl Acetate?

CAS 150-84-5; molecular formula C12H22O2; molecular weight — g/mol.

What other names is Citronellyl Acetate known by?

Citronellyl acetate, 150-84-5, 3,7-dimethyloct-6-enyl acetate, 3,7-Dimethyl-6-octen-1-yl acetate, Acetic acid, citronellyl ester, 6-Octen-1-ol, 3,7-dimethyl-, 1-acetate.

What is the regulatory status of Citronellyl Acetate?

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

Is Citronellyl Acetate classified as hazardous?

Hazard statements reported: H315, H319, H411.

What are the key physical properties of Citronellyl Acetate?

Boiling Point: 229.00 °C. @ 760.00 mm Hg; Boiling Point: 229 °C; Density: 0.883-0.893; LogP: 4.220.

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.