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6-Methyl-5-hepten-2-one Structure

6-Methyl-5-hepten-2-one

Chemical Properties

Melting point −67.1 °C (−88.8 °F; 206.1 K)
Boiling point 173.5 °C (344.3 °F; 446.6 K)
Density  0.8546 g/mL
vapor pressure  1.121hPa at 20℃
FEMA  2707 | 6-METHYL-5-HEPTEN-2-ONE
refractive index  n 20/D 1.439 (lit.)
Flash point 50 °C
storage temp.  Sealed in dry,2-8°C
solubility  Soluble in methanol and chloroform.
form  clear liquid
color  Colorless to Light yellow
Specific Gravity 0.855
PH 6.6 (3g/l, H2O, 25℃)
Odor at 10.00 % in dipropylene glycol. citrus green musty lemongrass apple
Odor Type citrus
biological source synthetic
explosive limit 1.1-7.3%(V)
Water Solubility  insoluble
JECFA Number 1120
BRN  1741705
Henry's Law Constant 1.2×10-1 mol/(m3Pa) at 25℃, Wu et al. (2022)
Major Application flavors and fragrances
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3
InChIKey UHEPJGULSIKKTP-UHFFFAOYSA-N
SMILES C\C(C)=C\CCC(C)=O
LogP 2.07 at 25℃
CAS DataBase Reference 110-93-0(CAS DataBase Reference)
NIST Chemistry Reference 5-Hepten-2-one, 6-methyl-(110-93-0)
EPA Substance Registry System 6-Methyl-5-hepten-2-one (110-93-0)

Safety Information

Risk Statements  10-36/37/38
Safety Statements  16-24/25
RIDADR  UN 1224 3/PG 3
WGK Germany  1
RTECS  MJ9700000
TSCA  TSCA listed
HazardClass  3
PackingGroup  III
HS Code  29141990
Storage Class 3 - Flammable liquids
Hazard Classifications Flam. Liq. 3
Toxicity The acute oral LD50 in rats was reported as 3.5 g/kg (Br & Griepentrog, 1967) and as 4T g/kg (3.33-5.04 g/kg) (Keating, 1972). The acute dermal LD50 exceeded 5 g/kg (Keating, 1972).

MSDS

Usage And Synthesis

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