Thymoquinone
[CAS# 490-91-5]

Identification

• Classification: Analytical chemistry >> Standard >> Food and beverage standards
• Name: Thymoquinone
• Synonyms: 2-Isopropyl-5-methyl-p-benzoquinone; 2-Isopropyl-5-methylbenzoquinone; 2-Methyl-5-(1-methylethyl)-2,5-cyclohexadiene-1,4-dione; 2-Methyl-5-isopropyl-1,4-benzoquinone; 2-Methyl-5-isopropyl-p-benzoquinone; 5-Isopropyl-2-methyl-1,4-benzoquinone; 5-Isopropyl-2-methyl-p-benzoquinone; NSC 2228; Thymoquinon; p-Cymene-2,5-dione
• Molecular Formula: C₁₀H₁₂O₂
• Molecular Weight: 164.20
• CAS Registry Number: 490-91-5
• EC Number: 207-721-1

Properties

• Solubility: Very slightly soluble (0.82 g/L) (25 ºC), Calc.^*
• Density: 1.065±0.06 g/cm³ (20 ºC 760 Torr), Calc.^*
• Melting point: 167 ºC^**
• Boiling point: 232 ºC^***
• Flash point: 103.9±0.0 ºC, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (©1994-2014 ACD/Labs)

^** Treibs, Wilhelm; Journal fuer Praktische Chemie (Leipzig) 1959, V8, P123-31.

^*** "PhysProp" data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Safety Data

Hazard Classification

Hazard	Class	Category Code	Hazard Statement
Acute toxicity	Acute Tox.	4	H302
Eye irritation	Eye Irrit.	2	H319
Skin irritation	Skin Irrit.	2	H315
Specific target organ toxicity - single exposure	STOT SE	3	H335
Specific target organ toxicity - single exposure	STOT SE	3	H336