600-14-6

Name 2,3-Pentanedione
CAS 600-14-6
EINECS(EC#) 209-984-8
Molecular Formula C5H8O2
MDL Number MFCD08443597
Molecular Weight 100.12
MOL File 600-14-6.mol

Chemical Properties

Appearance colourless liquid (? some sources report this as being a deep green-yellow colour)
Melting point  -52 °C (lit.)
Boiling point  110-112 °C (lit.)
density  0.958
vapor pressure  28.5 hPa (20 °C)
FEMA  2841
refractive index  n20/D 1.404(lit.)
Fp  66 °F
storage temp.  2-8°C
solubility  60g/l
form  Liquid
color  very deep green-yellow
Odor at 1.00 % in dipropylene glycol. pungent sweet butter creamy caramel nutty cheese
PH 4 (H2O)
Stability: Stable. Highly flammable-store cool. Incompatible with strong oxidizing agents, reducing agents, strong bases.
biological source synthetic
explosive limit 1.8-10.9%(V)
Odor Type buttery
Water Solubility  60 g/L (15 ºC)
JECFA Number 410
BRN  1699638
Henry's Law Constant 1.3×10-1 mol/(m3Pa) at 25℃, Wu et al. (2022)
Exposure limits NIOSH: TWA 9.3 ppb; STEL 31 ppb
Major Application flavors and fragrances
InChI 1S/C5H8O2/c1-3-5(7)4(2)6/h3H2,1-2H3
InChIKey TZMFJUDUGYTVRY-UHFFFAOYSA-N
SMILES CCC(=O)C(C)=O
LogP -0.85
CAS DataBase Reference 600-14-6(CAS DataBase Reference)
NIST Chemistry Reference 2,3-Pentanedione(600-14-6)
EPA Substance Registry System 600-14-6(EPA Substance)

Safety Data

Symbol(GHS)  Flame (GHS02)Exclamation Mark (GHS07)Health Hazard (GHS08)
GHS02,GHS07,GHS08
Signal word  Danger
Hazard statements  H225-H317-H373
Precautionary statements  P210-P233-P240-P280-P303+P361+P353-P314
Hazard Codes  F,Xi
Risk Statements 
R11:Highly Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S16:Keep away from sources of ignition-No smoking .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection .
RIDADR  UN 1224 3/PG 2
WGK Germany  1
RTECS  SA1850000
F  9-23
Autoignition Temperature 265 °C
TSCA  Yes
REACH Registrations Active
HazardClass  3
PackingGroup  II
HS Code  29141990
Storage Class 3 - Flammable liquids
Hazard Classifications Flam. Liq. 2
Skin Sens. 1B
STOT RE 2
Safety Profile
Confirmed human carcinogen. Poison by intraperitoneal route. When heated to decomposition it emits acrid smoke and irritating fumes. See also NICKEL COMPOUNDS
Hazardous Substances Data 600-14-6(Hazardous Substances Data)
Toxicity
LD50 orally in Rabbit: 3000 mg/kg LD50 dermal Rabbit > 2500 mg/kg

Hazard Information

Material Safety Data Sheet(MSDS)

Well-known Reagent Company Product Information

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