Thymoquinone[百里醌]

CAS:490-91-5

SKU： NCC.490.91.5 分类： [USP/美国药典]

保证安全结账

描述

CAS Registry Number^®

490-91-5

CAS Name

Thymoquinone

Molecular Formula

C₁₀H₁₂O₂

Molecular Mass

164.20

Compound Properties

Boiling Point (1)

232 °C
Melting Point (1)

45.5 °C
Density (2)

0.694 g/cm³ @ Temp: 45 °C; Press: 97508 Torr

Source(s)

(1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
(2) Goni, Maria L.; Journal of Supercritical Fluids, (2017), 130, 337-346, CAplus

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=KEQHJBNSCLWCAE-UHFFFAOYSA-N

SMILES

C(C)(C)C=1C(=O)C=C(C)C(=O)C1

Canonical SMILES

O=C1C=C(C(=O)C=C1C)C(C)C

Other Names for this Substance

2,5-Cyclohexadiene-1,4-dione, 2-methyl-5-(1-methylethyl)-
p-Mentha-3,6-diene-2,5-dione
2-Methyl-5-(1-methylethyl)-2,5-cyclohexadiene-1,4-dione
p-Cymene-2,5-dione
2-Isopropyl-5-methylbenzoquinone
2-Methyl-5-isopropyl-p-benzoquinone
Thymoquinone
2-Isopropyl-5-methyl-p-benzoquinone
Thymoquinon
5-Isopropyl-2-methyl-1,4-benzoquinone
2-Methyl-5-isopropyl-1,4-benzoquinone
2-Isopropyl-5-methyl-1,4-benzoquinone
5-Isopropyl-2-methyl-p-benzoquinone
NSC 2228
2-Isopropyl-5-methyl-p-benzophenone
2-Methyl-5-(propan-2-yl)cyclohexa-2,5-diene-1,4-dione
2-Methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione
5-Isopropyl-2-methylbenzo-quinone
Thymoquin