2-Isopropyl-5-methyl-1,4-benzoquinone

Basic Information

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CAS Number

490-91-5

Molecular Formula

C10H12O2

Molecular Weight

164.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Physical Properties

Melting Point

45-47 °C

Boiling Point

230-232 °C

Refractive Index

1.5155 (estimate)

SMILES

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CC1=CC(=O)C(=CC1=O)C(C)C

InChI

InChI=1S/C10H12O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6H,1-3H3

InChIKey

KEQHJBNSCLWCAE-UHFFFAOYSA-N

LogP

1.6669

Topological Polar Surface Area

34.14 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

293

Safety Information

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GHS Hazard Pictograms

H302

H315

H319

H335

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Storage Conditions

2-8℃

Synonyms & References

English

2,5-CYCLOHEXADIENE-1,4-DIONE, 2-METHYL-5-(1-METHYLETHYL)-
T0795
2-Isopropyl-5-methyl-p-benzoquinone
InChI=1/C10H12O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6H,1-3H
NCGC00178250-01
NS00031853
2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione
CCRIS 7152
s4761
Spectrum5_000550
p-Mentha-3,6-diene-2,5-dione
Thymoquinone, >=98%
SCHEMBL542535
2-Isopropyl-5-methylbenzo-1,4-quinone
KBio2_006853
Spectrum2_000700
W-202869
2,5-Cyclohexadiene-1,4-dione, 5-isopropyl-2-methyl-
CS-0012226
NSC2228
p-Mentha-3,6-diene-2,5-dione (8CI)
BRN 1939047
AS-11327
SpecPlus_000457
Q7799650
Thymoquinone
AI3-17758
2-Methyl-5-(1-methylethyl)-2,5-cyclohexadiene-1,4-dione, 9CI
Thymoquinone, analytical standard
SR-05000002192-2
CHEBI:113532

MDL Number

MFCD00001602

Customs Code

2914690090

FAQ

What is 2-Isopropyl-5-methyl-1,4-benzoquinone (CAS: 490-91-5)?

2-Isopropyl-5-methyl-1,4-benzoquinone (CAS: 490-91-5) is an organic compound with the chemical formula C10H12O2. It belongs to the benzoquinone family and features a benzene ring with two ketone groups. The molecule also includes isopropyl and methyl substituents, contributing to its structural complexity. It is typically a yellow solid with moderate solubility in organic solvents and exhibits reactive chemical properties due to its quinone functionality.

What are the main uses of 2-Isopropyl-5-methyl-1,4-benzoquinone (CAS: 490-91-5)?

2-Isopropyl-5-methyl-1,4-benzoquinone (CAS: 490-91-5) is primarily used in pharmaceutical research as a precursor for antioxidant and anti-inflammatory drug development. It also finds applications in industrial processes, such as dye synthesis and polymer production. In food science, it may serve as an antioxidant additive, and in research settings, it is utilized for organic chemical synthesis and as a reagent in various biochemical studies.

Is 2-Isopropyl-5-methyl-1,4-benzoquinone (CAS: 490-91-5) safe?

2-Isopropyl-5-methyl-1,4-benzoquinone (CAS: 490-91-5) may pose health risks if mishandled. It can cause skin and eye irritation, and inhalation of its vapors may lead to respiratory issues. Safety guidelines recommend wearing protective gloves, goggles, and a lab coat when handling. It is advisable to work in a well-ventilated area or fume hood. Always follow OSHA and EPA safety standards for proper exposure control and storage.

How should 2-Isopropyl-5-methyl-1,4-benzoquinone (CAS: 490-91-5) be stored?

2-Isopropyl-5-methyl-1,4-benzoquinone (CAS: 490-91-5) should be stored in a cool, dry, and dark environment to maintain stability. Keep it in a sealed container made of glass or plastic, away from light and moisture. Store at temperatures below 25°C and avoid exposure to air or incompatible substances like strong oxidizers. Ensure proper labeling and follow recommended storage conditions to prevent degradation or hazardous reactions.