Thymoquinone

Datasheet MSDS
Catalog Number
ANC04323
Product Name
Thymoquinone
CAS Number
490-91-5
IUPAC Name
2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione
Synonyms
Thymoquinon; P-Cymene-2,5-dione; 2-Isopropyl-5-methyl-1,4-benzoquinone; 2-Isopropyl-5-methylbenzoquinone; 2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione
Molecular Formula
C10H12O2
Molecular Weight
164.204
Density
1.065g/cm3
Melting Point
45-47°C(lit.)
Boiling Point
232°C@760mmHg
SMILES
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
InChI Key
KEQHJBNSCLWCAE-UHFFFAOYSA-N
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