THYMOQUINONE Structure

THYMOQUINONE

Chemical Properties

Melting point 45-47 °C(lit.)
Boiling point 230-232 °C(lit.)
Density  1.0326 (rough estimate)
refractive index  1.5155 (estimate)
Flash point 219 °F
storage temp.  Sealed in dry,Room Temperature
solubility  Chloroform (Slightly, Heated), Ethanol (Slightly), Methanol (Slightly)
form  Solid
color  Light Orange to Dark Yellow
Stability Light Sensitive
Major Application cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care
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
SMILES C1(=O)C=C(C(C)C)C(=O)C=C1C
LogP 2.200
CAS DataBase Reference 490-91-5(CAS DataBase Reference)
FDA UNII O60IE26NUF
EPA Substance Registry System 2,5-Cyclohexadiene-1,4-dione, 2-methyl-5-(1-methylethyl)- (490-91-5)
UNSPSC Code 85151701
NACRES NA.47

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H302-H315-H319-H335
Precautionary statements P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
Hazard Codes  Xn
Risk Statements  22-36/37/38
Safety Statements  26-36
WGK Germany  3
RTECS  GU5330000
TSCA  TSCA listed
HS Code  29146990
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
NFPA 704:
0
2 0

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