2-十一酮

Description

2-Undecanone is identified by CAS 112-12-9, molecular formula C11H22O and molecular weight 170.17 g/mol. UNII YV5DSO8CY9; ChEBI 17700; InChIKey KYWIYKKSMDLRDC-UHFFFAOYSA-N. Boiling Point: 231.5 °C; Boiling Point: 231.00 to 232.00 °C. @ 760.00 mm Hg; Boiling Point: 231-232 °C.

Identification

CAS Registry Number	112-12-9
PubChem CID	8163
Molecular formula	C11H22O
Molecular weight	170.17 g/mol
IUPAC name	undecan-2-one
InChIKey	KYWIYKKSMDLRDC-UHFFFAOYSA-N
UNII (FDA)	YV5DSO8CY9
ChEBI ID	CHEBI:17700
FEMA number	3093
JECFA number	296

Computed Descriptors

Molecular Weight	170.29
XLogP3	4.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	8
Exact Mass	170.167065321
Monoisotopic Mass	170.167065321
Topological Polar Surface Area	17.1
Heavy Atom Count	12
Formal Charge	0

Physical & Chemical Properties

Boiling Point	231.5 °C
Boiling Point	231.00 to 232.00 °C. @ 760.00 mm Hg
Boiling Point	231-232 °C
Boiling Point	223 °C @760 [mm Hg]
Melting Point	15 °C
Melting Point	12 °C
Flash Point	192 °F (89 °C) (Closed cup)
Density	0.8260 to 0.8263 at 20 °C/4 °C
Density	0.822 -0.826
Density	0.829 @ 30°C

Physical description & handling notes

• Liquid
• Colorless, oily liquid; [HSDB] Colorless liquid; mp = 11-13 deg C; [MSDSonline]
• colourless to pale yellow liquid with a citrus, fatty, rue-like odour
• Oily liquid
• Colorless liquid
• Strong odor

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Fresh, Green, Orange, Rose No safety concern at current levels of intake when used as a flavouring agent
GHS notification summary	15.2% (271 / 1781)

GHS Hazard Classification

GHS notification summary	15.2% (271 / 1781)
Reported hazard statements	H400 (84.3%)

Documented Uses

• Used as a solvent in the production of vinyl resins, nitrocellulose, and synthetic rubber; as a flavoring agent; as a dog and cat repellent; [HSDB] Used to make some synthetic essential oils and as a fragrance in soaps, detergents, creams, lotions, and perfumes; [Merck Index] Used as a dog/cat repellent and iris borer deterrent; [Reference #1]
• Dog and cat repellent/training aid and iris borer deterrent.
• Perfumery, flavoring, animal repellent.
• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• Information on 14 consumer products that contain Methyl nonyl ketone in the following categories is provided:

Synonyms

2-Undecanone; Undecan-2-one; Methyl nonyl ketone; 112-12-9; 2-Hendecanone; Rue ketone; METHYL N-NONYL KETONE; Ketone, methyl nonyl; Nonyl methyl ketone; MGK Dog and Cat Repellent; FEMA No. 3093; DTXSID2021943; YV5DSO8CY9; NSC-4028; DTXCID301943; CHEBI:17700

Frequently Asked Questions

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

CAS 112-12-9; molecular formula C11H22O; molecular weight 170.17 g/mol.

What other names is 2-Undecanone known by?

2-Undecanone, Undecan-2-one, Methyl nonyl ketone, 112-12-9, 2-Hendecanone, Rue ketone.

What is the regulatory status of 2-Undecanone?

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

Is 2-Undecanone classified as hazardous?

15.2% of GHS notifications report no hazard classification (271 of 1781).

What are the key physical properties of 2-Undecanone?

Boiling Point: 231.5 °C; Boiling Point: 231.00 to 232.00 °C. @ 760.00 mm Hg; Boiling Point: 231-232 °C; Boiling Point: 223 °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.