beta-thujaplicin (CAS 499-44-5) — formula C10H12O2, molecular weight 164.20.
| CAS Number | 499-44-5 |
|---|---|
| Molecular Formula | C10H12O2 |
| Molecular Weight | 164.20 |
| Melting Point | 52 - 52.5 °C |
| Boiling Point | 140.00 °C. @ 10.00 mm Hg |
| LogP | 1.82 |
beta-thujaplicin is a chemical compound with CAS registry number 499-44-5 and molecular formula C10H12O2 (molecular weight 164.20).
CAS number: 499-44-5
Its molecular formula C10H12O2 comprises 10 C, 12 H, 2 O atoms.
Also known as: beta-thujaplicin · β-侧柏素
The CAS registry number of beta-thujaplicin is 499-44-5.
Molecular formula C10H12O2, molecular weight 164.20.
It is also registered under: beta-thujaplicin, β-侧柏素.
Independent reference data for beta-thujaplicin (CAS 499-44-5), compiled from public chemistry databases.
| CAS Registry Number | 499-44-5 |
|---|---|
| PubChem CID | 3611 |
| Molecular formula | C10H12O2 |
| IUPAC name | 2-hydroxy-6-propan-2-ylcyclohepta-2,4,6-trien-1-one |
| UNII (FDA) | U5335D6EBI |
| Molecular Weight | 164.20 |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 164.083729621 |
| Monoisotopic Mass | 164.083729621 |
| Topological Polar Surface Area | 37.3 |
| Heavy Atom Count | 12 |
| Boiling Point | 140.00 °C. @ 10.00 mm Hg |
|---|---|
| Melting Point | 52 - 52.5 °C |
| Solubility | 1.2 mg/mL at 25 °C |
| LogP | 1.82 |
hinokitiol; 499-44-5; beta-Thujaplicin; 4-Isopropyltropolone; 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-4-(1-methylethyl)-; 2-hydroxy-6-propan-2-ylcyclohepta-2,4,6-trien-1-one; 2-Hydroxy-4-(1-methylethyl)-2,4,6-cycloheptatrien-1-one; 2-hydroxy-4-(propan-2-yl)cyclohepta-2,4,6-trien-1-one; U5335D6EBI; DTXSID6043911; NSC-18804; CHEBI:10447; RefChem:567983; DTXCID4023911; 2-hydroxy-4-isopropyl-2,4,6-cycloheptatriene-1-one; hydron;7-oxo-5-propan-2-ylcyclohepta-1,3,5-trien-1-olate
| Regulatory & Food Contact | CIR / INCI: Antistatic; Hair conditioning |
|---|
| Reported hazard statements | H302 (100%) |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
beta-thujaplicin · CAS 499-44-5 · C10H12O2. UNII U5335D6EBI. Boiling Point: 140.00 °C. @ 10.00 mm Hg; Melting Point: 52 - 52.5 °C; Solubility: 1.2 mg/mL at 25 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: β-侧柏素