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3-Heptanone Structure

3-Heptanone

Chemical Properties

Melting point -39 °C (lit.)
Boiling point 146-149 °C (lit.)
Density  0.818 g/mL at 25 °C (lit.)
vapor pressure  1.4 at 25 °C (quoted, Verschueren, 1983)
FEMA  2545 | 3-HEPTANONE
refractive index  n20/D 1.408(lit.)
Flash point 106 °F
storage temp.  Flammables area
solubility  4.3g/l
form  Liquid
color  Clear slightly yellow
Odor at 1.00 % in dipropylene glycol. powerful green fatty fruity
Odor Type green
Water Solubility  3.3 g/L (20 ºC)
JECFA Number 285
BRN  506161
Henry's Law Constant 4.38 x 10-4(atm?m3/mol) at 37 °C (static headspace-GC, Bylaite et al., 2004)
Exposure limits TLV-TWA 230 mg/m3 (50 ppm) (ACGIH); IDLH 3000 ppm (NIOSH). .
Dielectric constant 12.9(22℃)
Stability Stable. Flammable. Incompatible with strong oxidizing agents, strong bases, strong reducing agents. May form peroxides in storage if in contact with air - store under inert gas.
LogP 1.97
Substances Added to Food (formerly EAFUS) 3-HEPTANONE
CAS DataBase Reference 106-35-4(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII 10GA6SR3AT
NIST Chemistry Reference 3-Heptanone(106-35-4)
EPA Substance Registry System 3-Heptanone (106-35-4)

Safety

Symbol(GHS)
Signal wordWarning
Hazard statements H226-H315-H319-H332
Precautionary statements P210-P233-P240-P303+P361+P353-P304+P340+P312-P305+P351+P338
Hazard Codes  Xn,Xi
Risk Statements  22-38-40-48/20/22-36-20-10
Safety Statements  36-24-36/37-24/25
RIDADR  UN 2810 6.1/PG 3
OEB A
OEL TWA: 50 ppm (230 mg/m3)
WGK Germany  2
RTECS  MJ5250000
Hazard Note  Irritant
TSCA  Yes
HazardClass  3
PackingGroup  III
HS Code  29141990
Hazardous Substances Data 106-35-4(Hazardous Substances Data)
Toxicity Acute oral LD50 for rats 2,760 mg/kg (quoted, RTECS, 1985).
IDLA 1,000 ppm
NFPA 704:
2
2 0

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