2-壬酮

Description

2-Nonanone is identified by CAS 821-55-6, molecular formula C9H18O and molecular weight 142.14 g/mol. UNII ZE5K73YN2Z; ChEBI 77927; InChIKey VKCYHJWLYTUGCC-UHFFFAOYSA-N. Boiling Point: 377.6 °F at 743 mmHg (USCG, 1999); Boiling Point: 192.00 °C. @ 743.00 mm Hg; Boiling Point: 195 °C.

Identification

CAS Registry Number	821-55-6
PubChem CID	13187
Molecular formula	C9H18O
Molecular weight	142.14 g/mol
IUPAC name	nonan-2-one
InChIKey	VKCYHJWLYTUGCC-UHFFFAOYSA-N
UNII (FDA)	ZE5K73YN2Z
ChEBI ID	CHEBI:77927
FEMA number	2785
JECFA number	292

Computed Descriptors

Molecular Weight	142.24
XLogP3	3.1
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	377.6 °F at 743 mmHg (USCG, 1999)
Boiling Point	192.00 °C. @ 743.00 mm Hg
Boiling Point	195 °C
Boiling Point	194 °C @760 [mm Hg]
Melting Point	-5.8 °F (USCG, 1999)
Melting Point	-15 °C
Melting Point	-9 °C
Flash Point	148 °F (USCG, 1999)
Solubility	0.371 mg/mL at 25 °C
Density	0.817-0.823

Physical description & handling notes

• Methyl heptyl ketone is a colorless liquid. (USCG, 1999)
• Colorless liquid; [CAMEO]
• Liquid
• colourless to pale yellow liquid with a fruity, floral, fatty, herbaceous odour
• soluble in alcohol, propylene glycol, oil; insoluble in water
• 1 ml in 1 ml 95% 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 Fragrant, Fruit, Green, Hot Milk No safety concern at current levels of intake when used as a flavouring agent
GHS notification summary	0.5% (9 / 1697)

GHS Hazard Classification

GHS notification summary	0.5% (9 / 1697)
Reported hazard statements	H315 (99.4%), H319 (76%)

Documented Uses

• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index

Synonyms

2-NONANONE; Nonan-2-one; 821-55-6; Heptyl methyl ketone; Methyl heptyl ketone; beta-Nonanone; Ketone, heptyl methyl; METHYL N-HEPTYL KETONE; FEMA No. 2785; NSC 14760; DTXSID2022125; ZE5K73YN2Z; NSC-14760; DTXCID002125; CHEBI:77927; RefChem:88764

Frequently Asked Questions

What are the CAS number and molecular formula of 2-Nonanone?

CAS 821-55-6; molecular formula C9H18O; molecular weight 142.14 g/mol.

What other names is 2-Nonanone known by?

2-NONANONE, Nonan-2-one, 821-55-6, Heptyl methyl ketone, Methyl heptyl ketone, beta-Nonanone.

What is the regulatory status of 2-Nonanone?

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

Is 2-Nonanone classified as hazardous?

0.5% of GHS notifications report no hazard classification (9 of 1697).

What are the key physical properties of 2-Nonanone?

Boiling Point: 377.6 °F at 743 mmHg (USCG, 1999); Boiling Point: 192.00 °C. @ 743.00 mm Hg; Boiling Point: 195 °C; Boiling Point: 194 °C @760 [mm Hg].

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.