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Cas Database |
| Name |
Beta-dolabrin |
EINECS | N/A |
| CAS No. | 4570-11-0 | Density | 1.166g/cm3 |
| PSA | 37.30000 | LogP | 1.78550 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C10H12O2 | Boiling Point | 334.2°Cat760mmHg |
| Molecular Weight | 162.188 | Flash Point | 142.1°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | A poison by intraperitoneal route. When heated to decomposition it emits acrid smoke and irritating vapors. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | A poison. |
| Synonyms |
4-Isopropenyl-tropolon;4-isopropenyl-tropolone;2-hydroxy-6-(prop-1-en-2-yl)cyclohepta-2,4,6-trien-1-one; |
Article Data | 6 |
Beta-dolabrin Chemical Properties
CAS Registry Number: 4570-11-0
Product Name: Beta-dolabrin
IUPAC Name: 2-hydroxy-6-prop-1-en-2-ylcyclohepta-2,4,6-trien-1-one
Synonyms: Beta-dolabrin ; 2-Hydroxy-4-isopropenyl-2,4,6-cycloheptatrien-1-one ; β-Dolabrin
Molecular Weight: 162.1852 [g/mol]
Molecular Formula: C10H10O2
XLogP3-AA: 2.4
H-Bond Donor: 1
H-Bond Acceptor: 2
Surface Tension: 46.8 dyne/cm
Density: 1.166 g/cm3
Flash Point: 142.1 °C
Enthalpy of Vaporization: 66.87 kJ/mol
Boiling Point: 334.2 °C at 760 mmHg
Vapour Pressure: 9.16E-06 mmHg at 25°C
Following is the molecular structure of Beta-dolabrin (CAS NO.4570-11-0) is:
Beta-dolabrin Toxicity Data With Reference
| 1. | ipr-mus LD50:232 mg/kg | BIPBU* Biological & pharmaceutical bulletin. 24 (2001),607. |
Beta-dolabrin Safety Profile
A poison by intraperitoneal route. When heated to decomposition it emits acrid smoke and irritating vapors.
Beta-dolabrin Specification
Descriptors computed from structure, you can know some information about Beta-dolabrin (CAS NO.4570-11-0) :
Canonical SMILES: CC(=C)C1=CC(=O)C(=CC=C1)O
InChI: InChI=1S/C10H10O2/c1-7(2)8-4-3-5-9(11)10(12)6-8/h3-6H,1H2,2H3,(H,11,12)
InChIKey: ZXPADFNEYYDQFL-UHFFFAOYSA-N
Rotatable Bond Count: 1
Tautomer Count: 5
Exact Mass: 162.06808
MonoIsotopic Mass: 162.06808
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