壬酸乙酯

Description

ethyl nonanoate · CAS 123-29-5 · C11H22O2. UNII KSH683S98J. Boiling Point: 119.00 °C. @ 23.00 mm Hg; Boiling Point: 229 °C; Melting Point: -44.5 °C.

Identification

CAS Registry Number	123-29-5
PubChem CID	31251
Molecular formula	C11H22O2
IUPAC name	ethyl nonanoate
UNII (FDA)	KSH683S98J
FEMA number	2447
JECFA number	34

Computed Descriptors

Molecular Weight	186.29
XLogP3	4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	9
Exact Mass	186.161979940
Monoisotopic Mass	186.161979940
Topological Polar Surface Area	26.3
Heavy Atom Count	13
Formal Charge	0

Physical & Chemical Properties

Boiling Point	119.00 °C. @ 23.00 mm Hg
Boiling Point	229 °C
Melting Point	-44.5 °C
Solubility	0.0295 mg/mL at 25 °C
Density	0.863-0.867
Refractive Index	1.420-1.424

Physical description & handling notes

• Liquid
• Colourless liquid with a fatty, fruity brandy-like odour
• Soluble in propylene glycol, insoluble in water
• 1ml in 10ml 70% ethanol (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 Floral JECFA ADI: 0-2.5 mg/kg bw (1979)
GHS notification summary	97.4% (1636 / 1680)

GHS Hazard Classification

GHS notification summary	97.4% (1636 / 1680)

Documented Uses

• CIR ingredient: Ethyl Pelargonate
• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• Nonanoic acid, ethyl ester: ACTIVE

Synonyms

ETHYL NONANOATE; 123-29-5; Ethyl pelargonate; Nonanoic acid, ethyl ester; Wine ether; Pelargonic Acid Ethyl Ester; FEMA No. 2447; DTXSID1047651; KSH683S98J; NSC-8901; DTXCID9027651; CHEBI:87501; RefChem:139019; 204-615-7; Nonanoic acid ethyl ester; Ethyl nonylate

Frequently Asked Questions

What are the CAS number and molecular formula of ethyl nonanoate?

CAS 123-29-5; molecular formula C11H22O2; molecular weight — g/mol.

What other names is ethyl nonanoate known by?

ETHYL NONANOATE, 123-29-5, Ethyl pelargonate, Nonanoic acid, ethyl ester, Wine ether, Pelargonic Acid Ethyl Ester.

What is the regulatory status of ethyl nonanoate?

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

Is ethyl nonanoate classified as hazardous?

97.4% of GHS notifications report no hazard classification (1636 of 1680).

What are the key physical properties of ethyl nonanoate?

Boiling Point: 119.00 °C. @ 23.00 mm Hg; Boiling Point: 229 °C; Melting Point: -44.5 °C; Solubility: 0.0295 mg/mL at 25 °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.