Thymoquinone
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Identifiers
CAS number
490-91-5Molecular formula
C10H12O2SMILES
CC1=CC(=O)C(=CC1=O)C(C)C
Retention indicies (RI)
- DB5: 1252.0
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Odor profile
caramellic 75.97% sweet 67.31% burnt 54.38% mint 41.63% tobacco 33.36% roasted 33.34% coffee 31.96% nutty 30.18% spicy 27.46% phenolic 26.8% Scent© AI
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Properties
XLogP3-AA
2.0 Well soluble in IAA, DEP, MMBMolecular weight
164.2 g/molVapor pressure est.
- 0.0293 hPa @ 20°C
- 0.0464 hPa @ 25°C
Evaporation rate
Moderately slowMelting points
- 44 - 45 °C
Boiling points
- 230.00 to 232.00 °C. @ 760.00 mm Hg
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Synonyms
- Thymoquinone
- 490-91-5
- Thymoquinon
- p-Cymene-2,5-dione
- 2-Isopropyl-5-methyl-1,4-benzoquinone
- p-Mentha-3,6-diene-2,5-dione
- 2,5-CYCLOHEXADIENE-1,4-DIONE, 2-METHYL-5-(1-METHYLETHYL)-
- 2-Isopropyl-5-methylbenzoquinone
- 2-Isopropyl-5-methylcyclohexa-2,5-diene-1,4-dione
- 2-Isopropyl-5-methyl-p-benzoquinone
- 5-Isopropyl-2-methyl-1,4-benzoquinone
- 2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione
- 2-Isopropyl-5-methylbenzo-1,4-quinone
- NSC 2228
- 2-Methyl-5-isopropyl-p-benzoquinone
- CCRIS 7152
- NSC-2228
- EINECS 207-721-1
- O60IE26NUF
- 2-methyl-5-(propan-2-yl)cyclohexa-2,5-diene-1,4-dione
- BRN 1939047
- AI3-17758
- NSC2228
- 2,5-Cyclohexadiene-1,4-dione, 5-isopropyl-2-methyl-
- MFCD00001602
- UNII-O60IE26NUF
- 2-Methyl-5-isopropyl-1,4-benzoquinone
- 2-Methyl-5-(1-methylethyl)-2,5-cyclohexadiene-1,4-dione
- CHEBI:113532
- 5-Isopropyl-2-methyl-p-benzoquinone
- 5-Isopropyl-2-methyl-2,5-Cyclohexadiene-1,4-dione
- thymolquinone
- Thymoil
- 4hco
- p-Mentha-3,5-dione
- Spectrum_001237
- Thymoquinone (Standard)
- SpecPlus_000457
- Thymoquinone, >=98%
- Spectrum2_000700
- Spectrum3_001345
- Spectrum4_001895
- Spectrum5_000550
- BSPBio_003129
- KBioGR_002455
- KBioSS_001717
- DivK1c_006553
- SCHEMBL542535
- THYMOQUINONE [WHO-DD]
- SPBio_000859
- CHEMBL1672002
- DTXSID9060079
- HY-D0803R
- KBio1_001497
- KBio2_001717
- KBio2_004285
- KBio2_006853
- KBio3_002349
- Thymoquinone, analytical standard
- 2-Methyl-5-iso-propylbenzoquinone
- BDBM166686
- BCP16946
- HY-D0803
- WLN: L6V DVJ B1 EY1&1
- 2,4-dione, 5-isopropyl-2-methyl-
- CCG-40027
- s4761
- AKOS003368628
- FT09858
- NCGC00178250-01
- NCGC00178250-05
- AS-11327
- DA-68178
- p-Mentha-3,6-diene-2,5-dione (8CI)
- 2-Isopropyl-5-methylbenzo-1,4-quinone #
- 2,4-dione, 2-methyl-5-(1-methylethyl)-
- CS-0012226
- NS00031853
- T0795
- EN300-264364
- T72517
- SR-05000002192
- Q7799650
- SR-05000002192-2
- BRD-K97566842-001-03-5
- Thymoquinone; 2-isopropyl-5-methylbenzo-1,4-quinone
- Z1255372388
- 2-methyl-5-(propan-2-yl)cyclohexa-2,5-diene-1,4-dione (F8)
- 2-Methyl-5-(1-methylethyl)-2,5-cyclohexadiene-1,4-dione, 9CI
- InChI=1/C10H12O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6H,1-3H
- 207-721-1
NaN
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Botanical
| Name | CAS | Botanical | Proportion |
|---|---|---|---|
| Nigella sativa seed | Nigella sativa L., fam. Ranunculaceae | 24.5% | |
| Thyme (Italy) 1 | 8007-46-3 | Thymus vulgaris L., fam. Lamiaceae (Labiatae) | 0.01% |
| Savory, winter (Italy) 3 | 90106-57-3 | Satureja montana L., fam. Lamiaceae (Labiatae) | 0.17% |
| Origanum husnuca-baserii (Turkey) | Origanum husnucan-baserii H. Duman, Z. Aytac et A. Duran, fam. Lamiaceae | 0.07% | |
| Oregano, spanish (Israel) 4 | 8007-11-2 | Coridothymus capitatus Rchb. (Thymus capitatus Hoffm. et Link.), Lamiaceae | 1.0% |
| Thymus pubescens (Iran) 1 | Thymus pubescens Boiss. et Kotschy ex Celak, fam. Lamiaceae (Labiatae) | 2.7% | |
| Savory, winter (Bulgaria) | 90106-57-3 | Satureja montana L. ssp. kitaibelii Wierzb., fam. Lamiaceae (Labiatae) | 0.3% |