2,3-己二酮

Description

2,3-hexanedione is identified by CAS 3848-24-6, molecular formula C6H10O2 and molecular weight 114.07 g/mol. UNII 559ANR3NVS; ChEBI 87583; InChIKey MWVFCEVNXHTDNF-UHFFFAOYSA-N. Boiling Point: 262 °F at 760 mmHg (NTP, 1992); Boiling Point: 128.00 °C. @ 760.00 mm Hg; Boiling Point: 128 °C.

Identification

CAS Registry Number	3848-24-6
PubChem CID	19707
Molecular formula	C6H10O2
Molecular weight	114.07 g/mol
IUPAC name	hexane-2,3-dione
InChIKey	MWVFCEVNXHTDNF-UHFFFAOYSA-N
UNII (FDA)	559ANR3NVS
ChEBI ID	CHEBI:87583
FEMA number	2558
JECFA number	412

Computed Descriptors

Molecular Weight	114.14
XLogP3	0.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	114.068079557
Monoisotopic Mass	114.068079557
Topological Polar Surface Area	34.1
Heavy Atom Count	8
Formal Charge	0

Physical & Chemical Properties

Boiling Point	262 °F at 760 mmHg (NTP, 1992)
Boiling Point	128.00 °C. @ 760.00 mm Hg
Boiling Point	128 °C
Melting Point	-30.00 °C. @ 760.00 mm Hg
Flash Point	83 °F (NTP, 1992)
Density	0.930-0.950
Refractive Index	1.409-1.419

Physical description & handling notes

• 2,3-hexanedione is a yellow liquid. Sharp penetrating odor in high concentrations. Sweet, aromatic odor when diluted. (NTP, 1992)
• yellow, oily liquid with a butter-sweet odour
• less than 1 mg/mL at 72 °F (NTP, 1992)
• slightly
• slightly soluble in water; soluble in propylene glycol, 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 Savory No safety concern at current levels of intake when used as a flavouring agent

GHS Hazard Classification

Reported hazard statements	H226 (100%), H315 (10.1%), H319 (10.1%), H335 (10.1%), H373 (89.5%)

Documented Uses

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

Synonyms

2,3-HEXANEDIONE; 3848-24-6; hexane-2,3-dione; Acetylbutyryl; Acetyl butyryl; Methyl propyl diketone; FEMA No. 2558; DTXSID2047066; 559ANR3NVS; NSC-31665; DTXCID0027066; CHEBI:87583; RefChem:81914; 223-350-8; Hexanedione; Butyryl acetyl

Frequently Asked Questions

What are the CAS number and molecular formula of 2,3-hexanedione?

CAS 3848-24-6; molecular formula C6H10O2; molecular weight 114.07 g/mol.

What other names is 2,3-hexanedione known by?

2,3-HEXANEDIONE, 3848-24-6, hexane-2,3-dione, Acetylbutyryl, Acetyl butyryl, Methyl propyl diketone.

What is the regulatory status of 2,3-hexanedione?

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

Is 2,3-hexanedione classified as hazardous?

Hazard statements reported: H226, H315, H319, H335, H373.

What are the key physical properties of 2,3-hexanedione?

Boiling Point: 262 °F at 760 mmHg (NTP, 1992); Boiling Point: 128.00 °C. @ 760.00 mm Hg; Boiling Point: 128 °C; Melting Point: -30.00 °C. @ 760.00 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.