3-壬酮

Description

3-Nonanone is identified by CAS 925-78-0, molecular formula C9H18O and molecular weight 142.14 g/mol. UNII 00C380UHNL; ChEBI 179605; InChIKey IYTXKIXETAELAV-UHFFFAOYSA-N. Boiling Point: 187.00 to 188.00 °C. @ 760.00 mm Hg; Boiling Point: 190 °C; Melting Point: -8 °C.

Identification

CAS Registry Number	925-78-0
PubChem CID	61235
Molecular formula	C9H18O
Molecular weight	142.14 g/mol
IUPAC name	nonan-3-one
InChIKey	IYTXKIXETAELAV-UHFFFAOYSA-N
UNII (FDA)	00C380UHNL
ChEBI ID	CHEBI:179605
FEMA number	3440
JECFA number	294

Computed Descriptors

Molecular Weight	142.24
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	6
Exact Mass	142.135765193
Monoisotopic Mass	142.135765193
Topological Polar Surface Area	17.1
Heavy Atom Count	10
Formal Charge	0

Physical & Chemical Properties

Boiling Point	187.00 to 188.00 °C. @ 760.00 mm Hg
Boiling Point	190 °C
Melting Point	-8 °C
Density	0.822-0.828 (20 °C)
Refractive Index	1.417-1.423

Physical description & handling notes

• Light yellow liquid; [Aldrich MSDS]
• Liquid
• very slightly
• insoluble in water; soluble in alcohol and oils
• (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 No safety concern at current levels of intake when used as a flavouring agent

GHS Hazard Classification

Reported hazard statements	H319 (100%)

Documented Uses

• Used as flavoring agent or adjuvant; [FDA]
• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index

Synonyms

3-NONANONE; nonan-3-one; Ethyl hexyl ketone; 3-Nonanone (natural); FEMA No. 3440; UNII-00C380UHNL; 00C380UHNL; FEMA 3440; EINECS 213-125-2; 3-NONANONE [FHFI]; AI3-36117; DTXSID1061289; 3Nonanone (natural); RefChem:95071; DTXCID9048801; IYTXKIXETAELAV-UHFFFAOYSA-N

Frequently Asked Questions

What are the CAS number and molecular formula of 3-Nonanone?

CAS 925-78-0; molecular formula C9H18O; molecular weight 142.14 g/mol.

What other names is 3-Nonanone known by?

3-NONANONE, nonan-3-one, Ethyl hexyl ketone, 3-Nonanone (natural), FEMA No. 3440, UNII-00C380UHNL.

What is the regulatory status of 3-Nonanone?

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

Is 3-Nonanone classified as hazardous?

Hazard statements reported: H319.

What are the key physical properties of 3-Nonanone?

Boiling Point: 187.00 to 188.00 °C. @ 760.00 mm Hg; Boiling Point: 190 °C; Melting Point: -8 °C; Density: 0.822-0.828 (20 °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.