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Basic Information
CAS No.: 4570-11-0
Name: beta-dolabrin
Article Data: 6
Molecular Structure:
Molecular Structure of 4570-11-0 (beta-dolabrin)
Formula: C10H12O2
Molecular Weight: 162.188
Synonyms: 4-Isopropenyl-tropolon;4-isopropenyl-tropolone;2-hydroxy-6-(prop-1-en-2-yl)cyclohepta-2,4,6-trien-1-one;
Density: 1.166g/cm3
Boiling Point: 334.2°Cat760mmHg
Flash Point: 142.1°C
Hazard Symbols: A poison.
Safety: A poison by intraperitoneal route. When heated to decomposition it emits acrid smoke and irritating vapors.
PSA: 37.30000
LogP: 1.78550
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Chemistry

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:

Toxicity Data With Reference

1.    

ipr-mus LD50:232 mg/kg

     BIPBU*    Biological & pharmaceutical bulletin. 24 (2001),607.

Safety Profile

A poison by intraperitoneal route. When heated to decomposition it emits acrid smoke and irritating vapors.

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