8.04807
Isophorone
for synthesis
Synonym(s):
Isophorone, 3,5,5-Trimethyl-2-cyclohexen-1-one
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About This Item
vapor pressure
0.33 hPa ( 20 °C)
Quality Level
assay
≥98.0% (GC)
form
liquid
autoignition temp.
460 °C
potency
1500 mg/kg LD50, oral (Rat), 1500 mg/kg LD50, skin (Rabbit)
expl. lim.
0.8-3.8 % (v/v)
bp
210-216 °C/1013 hPa
mp
-8 °C
transition temp
flash point 85 °C
solubility
14.5 g/L
density
0.92 g/cm3 at 20 °C
storage temp.
2-30°C
SMILES string
O=C1CC(CC(=C1)C)(C)C
InChI
1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3
InChI key
HJOVHMDZYOCNQW-UHFFFAOYSA-N
Application
- Study on the selective hydrogenation of isophorone: This research explores the hydrogenation process of isophorone, achieving low conversion with high TMCH (3,3,5-Trimethylcyclohexanone) selectivity. The focus is on optimizing conversion rates (L Xu, S Sun, X Zhang, H Gao, W Wang - RSC advances, 2021).
- Synthesis of aviation fuel from bio-derived isophorone: Investigates the use of isophorone as a precursor for synthesizing energy-dense polycyclic cyclobutane, applicable in aviation fuel production (CF Ryan, CM Moore, JH Leal - Sustainable Energy & Fuels, 2020).
Analysis Note
Density (d 20 °C/ 4 °C): 0.920 - 0.922
Identity (IR): passes test
Color (visual): colorless to yellowish
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signalword
Warning
Hazard Classifications
Acute Tox. 4 Dermal - Acute Tox. 4 Oral - Carc. 2 - Eye Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
10 - Combustible liquids
wgk
WGK 1
flash_point_f
204.8 °F - closed cup
flash_point_c
96.0 °C - closed cup
Certificates of Analysis (COA)
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