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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
biological source synthetic
Water Solubility  3.3 g/L (20 ºC)
Thermal Conductivity 0.137 W/(m·K) at 25 ℃
JECFA Number 285
BRN  506161
Henry's Law Constant 4.38 x 10-4(atmm3/mol) at 37 °C (static headspace-GC, Bylaite et al., 2004)
Exposure limits ACGIH:TLV-TWA 10 ppm
OSHA:PEL-TWA 50 ppm (230 mg/m3)
NIOSH:REL-TWA 50 ppm
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.
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C7H14O/c1-3-5-6-7(8)4-2/h3-6H2,1-2H3
InChIKey NGAZZOYFWWSOGK-UHFFFAOYSA-N
SMILES CCCCC(=O)CC
LogP 1.97
CAS DataBase Reference 106-35-4(CAS DataBase Reference)
NIST Chemistry Reference 3-Heptanone(106-35-4)
EPA Substance Registry System 3-Heptanone (106-35-4)

Safety Information

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  TSCA listed
HazardClass  3
PackingGroup  III
HS Code  29141990
Storage Class 3 - Flammable liquids
Hazard Classifications Acute Tox. 4 Inhalation
Eye Irrit. 2
Flam. Liq. 3
Skin Irrit. 2
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

MSDS

Usage And Synthesis

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