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 Segment
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
Regulatory Listings
Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.
Substances Subject to be Indicated Names
ishl_indicated
Substances Subject to be Notified Names
ishl_notified
Group 4: Flammable liquids + Type 3 petroleums + Hazardous rank III + Water insoluble liquid
fsl
Certificates of Analysis (COA)
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