ChemicalBook > CAS DataBase List > 2,3-Pentanedione

2,3-Pentanedione

CAS No.600-14-6
Chemical Name:2,3-Pentanedione
CBNumber:CB6166470
Molecular Formula:C5H8O2
Formula Weight:100.12
MOL File:600-14-6.mol

2,3-Pentanedione Property

Melting point -52 °C (lit.)
Boiling point 110-112 °C (lit.)
Density 0.957 g/mL at 25 °C (lit.)
vapor pressure 28.5 hPa (20 °C)
refractive index n20/D 1.404(lit.)
FEMA 2841 | 2,3-PENTANEDIONE
Flash point 66 °F
storage temp. 2-8°C
solubility 60g/l
form Liquid
color very deep green-yellow
PH 4 (H2O)
Odor at 1.00 % in dipropylene glycol. pungent sweet butter creamy caramel nutty cheese
Odor Type buttery
biological source synthetic
explosive limit 1.8-10.9%(V)
Water Solubility 60 g/L (15 ºC)
JECFA Number 410
BRN 1699638
Exposure limits NIOSH: TWA 9.3 ppb; STEL 31 ppb
Stability Stable. Highly flammable - store cool. Incompatible with strong oxidizing agents, reducing agents, strong bases.
InChIKey TZMFJUDUGYTVRY-UHFFFAOYSA-N
LogP -0.85
CAS DataBase Reference 600-14-6(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS) 2,3-PENTANEDIONE
EWG's Food Scores 2
FDA UNII K4WBE45SCM
NIST Chemistry Reference 2,3-Pentanedione(600-14-6)
EPA Substance Registry System 2,3-Pentanedione (600-14-6)
UNSPSC Code 85151701
NACRES NA.24

Safety

Hazard Codes :F,Xi
Risk Statements :11-36/37/38
Safety Statements :16-26-36-37/39
RIDADR :UN 1224 3/PG 2
WGK Germany :1
RTECS :SA1850000
F :9-23
Autoignition Temperature :265 °C
TSCA :Yes
HazardClass :3
PackingGroup :II
HS Code :29141990
Hazardous Substances Data :600-14-6(Hazardous Substances Data)
Toxicity :LD50 orally in Rabbit: 3000 mg/kg LD50 dermal Rabbit > 2500 mg/kg

NFPA 704:

	4
1		0

Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal wordDanger
Hazard statements H225-H317-H373
Precautionary statements P210-P233-P240-P280-P303+P361+P353-P314

2,3-Pentanedione Price More Price(14)

Brand: Sigma-Aldrich(India)
Product number: W284114
Product name : 2,3-Pentanedione
Purity: natural, ≥96%, FG
Packaging: 1SAMPLE-K
Price: ₹5347.55
Updated: 2022/06/14
Buy: Buy

Brand: Sigma-Aldrich(India)
Product number: W284114
Product name : 2,3-Pentanedione
Purity: natural, ≥96%, FG
Packaging: 1KG
Price: ₹28426.45
Updated: 2022/06/14
Buy: Buy

Brand: Sigma-Aldrich(India)
Product number: W284114
Product name : 2,3-Pentanedione
Purity: natural, ≥96%, FG
Packaging: 10KG
Price: ₹218600.05
Updated: 2022/06/14
Buy: Buy

Brand: Sigma-Aldrich(India)
Product number: W284106
Product name : 2,3-Pentanedione
Purity: ≥96%, FCC, FG
Packaging: 1SAMPLE-K
Price: ₹5141.88
Updated: 2022/06/14
Buy: Buy

Brand: Sigma-Aldrich(India)
Product number: W284106
Product name : 2,3-Pentanedione
Purity: ≥96%, FCC, FG
Packaging: 1KG
Price: ₹33286.88
Updated: 2022/06/14
Buy: Buy

2,3-Pentanedione Chemical Properties,Usage,Production

Chemical Properties 2,3-Pentanedione is a colourless or deep green-yellow colour liquid that has a somewhat sweet odor similar to quinone. This compound has a penetrating, buttery taste on dilution. It is used as flavoring agent or adjuvant.
Occurrence 2,3-Pentanedione occurs in butter, bread, milk, yogurt, chicken, meat, cocoa, coffee, potato chips, roasted almonds, pecans, beer, red and white wine, rum and whiskey. The organoleptic profile can be described as creamy, penetrating, cheesy, oily, sweet, buttery, almondlike, brown roasted, and somewhat caramellic, with a fruity nuance.
Uses 2,3-Pentanedione may be used as a reference standard in the determination of 2,3-pentanedione in beer samples using headspace-gas chromatographic technique (HS-GC).
Application 2,3-Pentanedione can be used as a reactant to synthesize:
Bisphenol derivatives by acid-catalyzed condensation reaction with phenols.
2-Ethyl-3-methyl-1H-indole by Pd-catalyzed reaction with aniline under reductive conditions.
2-Ethyl-3-methylquinoxaline by condensation reaction with o-phenylenediamine using citric acid as a catalyst.
Definition ChEBI: 2,3-Pentanedione is an alpha-diketone that is pentane substituted at the 2- and 3-positions by oxo groups. It has a role as a flavouring agent. It is an alpha-diketone and a methyl ketone. It derives from a hydride of a pentane.
Preparation By oxidation of methyl propyl ketone with excess NaNO2 and diluted HCl in the presence of hydroxylamine hydrochloride under a nitrogen blanket.
Aroma threshold values Detection: 20 ppb. Aroma characteristics at 1.0%: buttery diacetyl-like, fermented dairy and creamy, popcorn buttery.
Taste threshold values Taste characteristics at 1 to 5 ppm: sweet buttery, creamy, cheesy, slightly toasted dairy, with a rich baked goods nuance and a good mouthfeel.
General Description 2,3-Pentanedione (acetylpropionyl) is one of the aroma active compounds of cereal coffee brew.
Biochem/physiol Actions Taste at 1-5.0 ppm
Safety Profile Confirmed human carcinogen. Poison by intraperitoneal route. When heated to decomposition it emits acrid smoke and irritating fumes. See also NICKEL COMPOUNDS