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5-METHYL-3-HEPTANONE Structure

5-METHYL-3-HEPTANONE

Chemical Properties

Melting point -56.65°C
Boiling point 157-162 °C (lit.)
Density  0.823 g/mL at 25 °C (lit.)
vapor pressure  2.7 hPa (25 °C)
refractive index  n20/D 1.414(lit.)
Flash point 111 °F
storage temp.  Store below +30°C.
solubility  3g/l
form  Colorless liquid
color  Colorless liquid with a fruity odor
Odor at 100.00 %. herbal sweet oily
Odor Type herbal
explosive limit 0.9-48%(V)
Water Solubility  1.92g/L at 19.9℃
Merck  14,6084
BRN  506345
Henry's Law Constant 1.30 x 10-4 atmm3/mol at 20 °C (approximate - calculated from water solubility and vapor pressure)
Exposure limits ACGIH:TLV-TWA 10 ppm (52.4 mg/m3)
OSHA:PEL-TWA 25 ppm (130 mg/m3)
NIOSH:REL-TWA 25 ppm
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C8H16O/c1-4-7(3)6-8(9)5-2/h7H,4-6H2,1-3H3
InChIKey PSBKJPTZCVYXSD-UHFFFAOYSA-N
SMILES CCC(C)CC(=O)CC
LogP 2.147 at 25℃
CAS DataBase Reference 541-85-5(CAS DataBase Reference)
EPA Substance Registry System 5-Methyl-3-heptanone (541-85-5)

Safety Information

Hazard Codes  Xi
Risk Statements  10-36/37
Safety Statements  23
OEB A
OEL TWA: 25 ppm (130 mg/m3)
RIDADR  UN 2271
WGK Germany  1
RTECS  MJ7350000
TSCA  TSCA listed
HS Code  2914 19 90
HazardClass  3
PackingGroup  III
Storage Class 3 - Flammable liquids
Hazard Classifications Eye Irrit. 2
Flam. Liq. 3
STOT SE 3
Toxicity LD50 orally in Rabbit: 3500 mg/kg LD50 dermal Rabbit > 16000 mg/kg
IDLA 100 ppm

MSDS

Usage And Synthesis

Preparation Products And Raw materials

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