-
Name
beta-dolabrin
- EINECS
- CAS No. 4570-11-0
- Article Data6
- CAS DataBase
- Density 1.166g/cm3
- Solubility
- Melting Point
- Formula C10H12O2
- Boiling Point 334.2°Cat760mmHg
- Molecular Weight 162.188
- Flash Point 142.1°C
- Transport Information
- Appearance
- Safety A poison by intraperitoneal route. When heated to decomposition it emits acrid smoke and irritating vapors.
- Risk Codes
-
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;
- PSA 37.30000
- LogP 1.78550
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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