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Basic Information
CAS No.: 876-83-5
Name: 2-Methyl-1,3-indanedione
Article Data: 2
Molecular Structure:
Molecular Structure of 876-83-5 (2-Methyl-1,3-indanedione)
Formula: C10H8O2
Molecular Weight: 160.172
Synonyms: 2-methyl-indan-1,3-dione;2-Methyl-1,3-indandione;1,3-Indandione,2-methyl;2-1,3-Methyl-indandion;2-Methyl-1,3-indanedione;2-methyl-indene-1,3-dione;2-methylindane-1,3-dione;
Density: 1.217g/cm3
Melting Point: 83.5°C
Boiling Point: 300.2°C at 760 mmHg
Flash Point: 112.1°C
Safety: Poison by intraperitoneal route. An experimental teratogen. Experimental reproductive effects. When heated to decomposition it emits acrid smoke and irritating fumes.
PSA: 34.14000
LogP: 1.70170
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Chemistry

 

Product Name:  2-Methyl-1,3-indandione (CAS NO.876-83-5)


Molecular Formula: C10H8O2
Molecular Weight: 160.18g/mol
Mol File: 876-83-5.mol
Melting Point:  83–84°
Boiling point: 300.2 °C at 760 mmHg
Storage Temperature:
Flash Point: 112.1 °C
Density: 1.217 g/cm3
Surface Tension: 45.1 dyne/cm
Enthalpy of Vaporization: 54.03 kJ/mol
Vapour Pressure: 0.00114 mmHg at 25°C
XLogP3-AA: 1.8
H-Bond Donor: 0
H-Bond Acceptor: 2
Tautomer Count: 2
Topological Polar Surface Area: 34.1
Heavy Atom Count: 12
Complexity: 208
Covalently-Bonded Unit Count: 1

Toxicity Data With Reference

  Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 100mg/kg (100mg/kg)   Archives of Toxicology. Vol. 33, Pg. 191, 1975.

Safety Profile

Poison by intraperitoneal route. An experimental teratogen. Experimental reproductive effects. When heated to decomposition it emits acrid smoke and irritating fumes.

Specification

  2-Methyl-1,3-indandione ,its CAS NO. is 876-83-5,the synonyms is  2-1,3-Methyl-indandion ; 1H-Indene-1,3(2H)-dione, 2-methyl- (9CI) ; 1,3-Indandione, 2-methyl- ; 2-methyl-1H-indene-1,3(2H)-dione .