8.04807 EMD Millipore


Isophorone for synthesis. CAS 78-59-1, pH (H₂O, 20 °C) neutral,Aqueous solution., for synthesis

Synonym: 3,5,5-Trimethyl-2-cyclohexen-1-one

  • CAS Number 78-59-1

  • Linear Formula C₉H₁₄O

  • Molecular Weight 138.21 g/mol

  •  EC Number 201-126-0



Related Categories Biochemicals and Reagents More...
packaging   100 ml in Glass bottle (8048070100)
bp   210 - 216 °C (1013 hPa)
expl. lim.     0.8 - 3.8 %(V)
vapor pressure   0.33 hPa (20 °C)
solubility   14.5 g/l
density   0.92 g/cm3 (20 °C)
flash point   85 °C
autoignition temp.   460 °C
mp   -8 °C
LD 50 oral   LD50 Rat 1500 mg/kg
LD 50 dermal   LD50 Rabbit 1500 mg/kg
shipped in   ambient
storage temp.   Store below +30°C.
specifications   Assay (GC, area%): ≥ 98.0 % (a/a)
  Density (d 20 °C/ 4 °C): 0.920 - 0.922
  Identity (IR): passes test

Price and Availability

Ask us for bulk and customization needs

My Chemicals
Safety & Documentation

Safety Information

HS Code 
2914 29 00
Hazard Statement(s) 
H302 + H312: Harmful if swallowed or in contact with skin
H319: Causes serious eye irritation.
H335: May cause respiratory irritation.
H351: Suspected of causing cancer.
Precautionary Statement(s) 
P281: Use personal protective equipment as required.
P302 + P352: IF ON SKIN: Wash with plenty of soap and water.
P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P308 + P313: IF exposed or concerned: Get medical advice/ attention.
Storage class 
10 - 13 Other liquids and solids
WGK 1 slightly water endangering
Relatively unreactive organic reagents should be collected in container A. If halogenated, they should be collected in container B. For solid residues use container C.
Hazard Pictogram(s) 
GHS07  GHS07
Hazard Pictogram(s) 
GHS08  GHS08
Hazard Symbols 
Harmful  Harmful
Categories of danger 
harmful, irritant, carcinogenic
R Phrase 
R 21/22-36/37-40
Harmful in contact with skin and if swallowed.Irritating to eyes and respiratory system.Limited evidence of a carcinogenic effect.
S Phrase 
S 13-23-36/37/39-46
Keep away from food, drink and animal feedingstuffs.Do not breathe vapour.Wear suitable protective clothing, gloves and eye/face protection.If swallowed, seek medical advice immediately and show this container or label.
Protocols & Articles
Related Products

Technical Service:

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Bulk Ordering & Pricing:

Need larger quantities for your development, manufacturing or research applications?