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2,3-Hexanedione Structure

2,3-Hexanedione

  • Product Name2,3-Hexanedione
  • CAS3848-24-6
  • CBNumberCB2201726
  • MFC6H10O2
  • MW114.14
  • EINECS223-350-8
  • MDL NumberMFCD00009398
  • MOL File3848-24-6.mol

Chemical Properties

Melting point: -30 °C
Boiling point: 128 °C (lit.)
Density  0.934 g/mL at 25 °C (lit.)
vapor density  3.9 (vs air)
vapor pressure  10 mm Hg ( 20 °C)
FEMA  2558 | 2,3-HEXANEDIONE
refractive index  n 20/D 1.409 || n 20/D 1.412 (lit.)
Flash point: 28 °C - closed cup
storage temp.  Store below +30°C.
solubility  H2O: soluble (slightly soluble)
form  liquid
color  Yellow
Odor at 1.00 % in dipropylene glycol. dry sweet caramel butter oily fatty creamy phenolic fruity
Appearance Light yellow to yellow Liquid
Odor Type buttery
explosive limit 1.2-5.9%(V)
biological source synthetic
Water Solubility  Partly miscible in water.
JECFA Number 412
BRN  1699896
Stability: Stable. Flammable. Incompatible with strong bases, strong oxidizing agents.
Major Application flavors and fragrances
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C6H10O2/c1-3-4-6(8)5(2)7/h3-4H2,1-2H3
InChIKey MWVFCEVNXHTDNF-UHFFFAOYSA-N
SMILES CCCC(=O)C(C)=O
LogP -0.27
CAS DataBase Reference 3848-24-6(CAS DataBase Reference)
EPA Substance Registry System 2,3-Hexanedione (3848-24-6)

Safety

Symbol(GHS)  Flame (GHS02)Health Hazard (GHS08)
GHS02,GHS08
Signal word  Warning
Hazard statements  H226-H373
Precautionary statements  P210-P233-P240-P241-P242-P314
target organs Respiratory system
Hazard Codes  Xi
Risk Statements  10-36/37/38
Safety Statements  26-36/37/39-16
RIDADR  UN 1224 3/PG 3
WGK Germany  2
RTECS  MO3140000
Autoignition Temperature 245 °C
TSCA  TSCA listed
HazardClass  3
PackingGroup  III
HS Code  2914190090
Storage Class 3 - Flammable liquids
Hazard Classifications Flam. Liq. 3
STOT RE 2 Inhalation
Toxicity LD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rabbit > 5000 mg/kg
Limited Quantities 5.0 L (1.3 gallons) (liquid)
Excepted Quantities Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
NFPA 704:
3
2 0

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2,3-Hexanedione Chemical Properties,Usage,Production

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