Molecular Structure:
CAS No.:
490-91-5
Product Name.:
CCD No.:CCD00001565
Formula:C10H12O2
MolWeight:164.203
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| Product Name： | THYMOQUINONE |
| CAS： | 490-91-5 |
| English Synonyms： | 5-ISOPROPYL-2-METHYL-1,4-BENZOQUINONE ; 2-METHYL-5-(METHYLETHYL)CYCLOHEXA-2,5-DIENE-1,4-DIONE ; 2-ISOPROPYL-5-METHYL-1,4-BENZOQUINONE ; THYMOQUINONE ; P-MENTHA-3,6-DIENE-2,5-DIONE ; 2-METHYL-5-ISO-PROPYLBENZOQUINONE ; 2-ISOPROPYL-5-METHYLBENZO-1,4-QUINONE ; THYMOQUINON ; 2-METHYL-5-(PROPAN-2-YL)CYCLOHEXA-2,5-DIENE-1,4-DIONE ; 2-ISOPROPYL-5-METHYLCYCLOHEXA-2,5-DIENE-1,4-DIONE ; 2-METHYL-5-(PROP-2-YL)CYCLOHEXA-2,5-DIENE-1,4-DIONE |
| MDL Number.： | MFCD00001602 |
| H bond acceptor： | 2 |
| H bond donor： | 0 |
| Smile： | CC(C)C1=CC(=O)C(C)=CC1=O |
| 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 |
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| Melting Point： | 45-47 DEG C(LIT)/46 °C |
| Boiling Point： | 230-232 DEG C(LIT)/232 °C |
| Physical Property： | FLASHPOINT: 104 DEG C FLASHPOINT: 219.2 DEG F |
| Comments： | RTECS: GU5330000 UNSPSC: 12171500 WGK: 3 |
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| Symbol： |
GHS07
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| Signal word： | Warning |
| Hazard statements： | H302,H315,H319,H335 |
| Precautionary statements： | P261,P305+P351+P338 |
| hazard symbol： | Xn |
| Risk Code： | R:22,36/37/38 |
| Safe Code： | S:26,36 |
| WGK Germany： | 3 |
| Flash point： | 103 °C |
Basic Information
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