2-OCTEN-4-ONE

Description

2-OCTEN-4-ONE is identified by CAS 22286-99-3, molecular formula C8H14O and molecular weight 126.10 g/mol. UNII C9NB51LMXT; ChEBI 172018; InChIKey FMDLEUPBHMCPQV-GQCTYLIASA-N. Boiling Point: 81 °C (20-21 mm Hg); Density: 0.835-0.842; Refractive Index: 1.440-1.446.

Identification

CAS Registry Number	22286-99-3
PubChem CID	5365891
Molecular formula	C8H14O
Molecular weight	126.10 g/mol
IUPAC name	(E)-oct-2-en-4-one
InChIKey	FMDLEUPBHMCPQV-GQCTYLIASA-N
UNII (FDA)	C9NB51LMXT
ChEBI ID	CHEBI:172018
FEMA number	3603
JECFA number	1129

Computed Descriptors

Molecular Weight	126.20
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	126.104465066
Monoisotopic Mass	126.104465066
Topological Polar Surface Area	17.1
Heavy Atom Count	9
Formal Charge	0

Physical & Chemical Properties

Boiling Point	81 °C (20-21 mm Hg)
Density	0.835-0.842
Refractive Index	1.440-1.446

Physical description & handling notes

• Colourless liquid; fruity floral odour
• insoluble in water; soluble in fats
• Miscible at room temperature (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 Savory No safety concern at current levels of intake when used as a flavouring agent
GHS notification summary	6.1% (90 / 1480)

GHS Hazard Classification

GHS notification summary	6.1% (90 / 1480)
Reported hazard statements	H226 (87.5%), H315 (87.4%)

Documented Uses

• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• 2-Octen-4-one; Butyl propenyl ketone; Oct-2-en-4-one; Propenyl butyl ketone; Strawbinone (commercial name)
• 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
• Due to the possible ingestion of small amounts of fragrance ingredients from their use in products in Categories 1 and 6, materials must not only comply with IFRA Standards but must also be recognized as safe as a flavoring ingredient as defined by the IOFI Code of Practice (www.iofi.org). For more details see chapter 1 of the Guidance for the use of IFRA Standards.

Synonyms

2-Octen-4-one; Propenyl butyl ketone; Butyl propenyl ketone; FEMA No. 3603; 2-Octen-4-one (natural); trans-2-Octen-4-one; (E)-2-Octen-4-one; EINECS 225-071-7; 2-Octen-4-one, (E)-; 2-Octen-4-one, (2E)-; UNII-C9NB51LMXT; C9NB51LMXT; 22286-99-3; BUTYL 1-PROPENYL KETONE; DTXCID1027134; 2-OCTEN-4-ONE [FHFI]

Frequently Asked Questions

What are the CAS number and molecular formula of 2-OCTEN-4-ONE?

CAS 22286-99-3; molecular formula C8H14O; molecular weight 126.10 g/mol.

What other names is 2-OCTEN-4-ONE known by?

2-Octen-4-one, Propenyl butyl ketone, Butyl propenyl ketone, FEMA No. 3603, 2-Octen-4-one (natural), trans-2-Octen-4-one.

What is the regulatory status of 2-OCTEN-4-ONE?

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

Is 2-OCTEN-4-ONE classified as hazardous?

6.1% of GHS notifications report no hazard classification (90 of 1480).

What are the key physical properties of 2-OCTEN-4-ONE?

Boiling Point: 81 °C (20-21 mm Hg); Density: 0.835-0.842; Refractive Index: 1.440-1.446.

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.