2,5-Hexanedione

Description

2,5-Hexanedione · CAS 110-13-4 · C6H10O2. UNII C0Z8884J3P. Boiling Point: 376 °F at 760 mmHg (NTP, 1992); Melting Point: 22.1 °F (NTP, 1992); Flash Point: 174 °F (NTP, 1992).

Identification

CAS Registry Number	110-13-4
PubChem CID	8035
Molecular formula	C6H10O2
IUPAC name	hexane-2,5-dione
UNII (FDA)	C0Z8884J3P

Computed Descriptors

Molecular Weight	114.14
XLogP3	-0.3
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	376 °F at 760 mmHg (NTP, 1992)
Melting Point	22.1 °F (NTP, 1992)
Flash Point	174 °F (NTP, 1992)
Vapor Pressure	2.93 [mmHg]
LogP	-0.27
Autoignition Temperature	920 °F (NTP, 1992)

Physical description & handling notes

• 2,5-hexanedione is a clear colorless to amber liquid with a sweet aromatic odor. (NTP, 1992)
• Liquid
• Liquid that slowly turns yellow; [Merck Index] Colorless to amber liquid with a sweet odor; [CAMEO] Yellow liquid; [Alfa Aesar MSDS]
• greater than or equal to 100 mg/mL at 72 °F (NTP, 1992)
• 0.9737 at 68 °F (NTP, 1992) - Less dense than water; will float
• 3.94 (NTP, 1992) - Heavier than air; will sink (Relative to Air)

GHS Hazard Classification

Reported hazard statements	H315 (97.9%), H319 (99.3%), H373 (97.2%), H227, H302, H335, H372

Documented Uses

• Used as a solvent for cellulose acetate, roll-coating inks, lacquers, and stains; as an intermediate for pharmaceuticals and photographic chemicals; and in electroplating; [NTP]
• Electroplating [Category: Plate]
• Painting (Solvents) [Category: Paint]
• Textiles (Printing, Dyeing, or Finishing) [Category: Industry]
• All Other Basic Organic Chemical Manufacturing
• Reagents with two reactive groups, usually at opposite ends of the molecule, that are capable of reacting with and thereby forming bridges between side chains of amino acids in proteins; the locations of naturally reactive areas within proteins can thereby be identified; may also be used for other macromolecules, like glycoproteins, nucleic acids, or other.

Synonyms

2,5-HEXANEDIONE; Hexane-2,5-dione; Acetonylacetone; 110-13-4; 1,2-Diacetylethane; 2,5-Diketohexane; Diacetonyl; 2,5-Hexadione; Acetonyl acetone; 2,5-Dioxohexane; alpha,beta-Diacetylethane; NSC 7621; hexanedione, 2,5-; DTXSID8030138; NSC-7621; C0Z8884J3P

Frequently Asked Questions

What are the CAS number and molecular formula of 2,5-Hexanedione?

CAS 110-13-4; molecular formula C6H10O2; molecular weight — g/mol.

What other names is 2,5-Hexanedione known by?

2,5-HEXANEDIONE, Hexane-2,5-dione, Acetonylacetone, 110-13-4, 1,2-Diacetylethane, 2,5-Diketohexane.

Is 2,5-Hexanedione classified as hazardous?

Hazard statements reported: H315, H319, H373, H227, H302.

What are the key physical properties of 2,5-Hexanedione?

Boiling Point: 376 °F at 760 mmHg (NTP, 1992); Melting Point: 22.1 °F (NTP, 1992); Flash Point: 174 °F (NTP, 1992); Vapor Pressure: 2.93 [mmHg].

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.