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90-42-6

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Basic Information
CAS No.: 90-42-6
Name: 2-CYCLOHEXYLCYCLOHEXANONE
Article Data: 65
Molecular Structure:
Molecular Structure of 90-42-6 (2-CYCLOHEXYLCYCLOHEXANONE)
Formula: C12H20 O
Molecular Weight: 180.29
Synonyms: Cyclohexanone,2-cyclohexyl- (6CI); 2-Cyclohexylcyclohexanone; Lavamenthe; NSC 22249
Density: 0,97 g/cm3
Melting Point: -32°C
Boiling Point: 269 °C
Flash Point: 121°C
Safety: Mildly toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors.
PSA: 17.07000
LogP: 3.32600
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Chemistry

IUPAC: 2-Cyclohexylcyclohexan-1-one
  Lavamenthe with CAS NO.of 90-42-6 is also called for (1,1'-Bicyclohexyl)-2-one ; Bicyclohexanone ; 4-07-00-00248 (Beilstein Handbook Reference) ; AI3-08246 ; BRN 1865785 ; Cyclohexanone, 2-cyclohexyl- (6CI) ; EINECS 201-991-4 ; HSDB 5271 ; NSC 22249  ; 2-Cyclohexylcyclohexanone  and so on.
CAS: 90-42-6
Molecular Formula: C12H20O
Molecular Weight: 180.29
EINECS: 201-991-4
ACD/LogP: 3.31
ACD/LogD (pH 5.5): 3.31 
ACD/LogD (pH 7.4): 3.31 
ACD/BCF (pH 5.5): 
ACD/BCF (pH 7.4): 
ACD/KOC (pH 5.5): 
ACD/KOC (pH 7.4): 
H bond acceptors: 1 
H bond donors: 0 
Freely Rotating Bonds: 1 
Heavy Atom Count: 13
Formal Charge: 0
Complexity: 180
Isotope Atom Count: 0
Defined Atom StereoCenter Count: 0
Undefined Atom StereoCenter Count:1
Defined Bond StereoCenter Count: 0
Undefined Bond StereoCenter Count: 0
Covalently-Bonded Unit Count: 1 
Index of Refraction: 1.496 
Molar Refractivity: 53.51 cm3 
Molar Volume: 183 cm3 
Surface Tension: 37.4 dyne/cm 
Density: 0.984 g/cm3 
Flash Point: 111.2°C 
Enthalpy of Vaporization: 50.19 kJ/mol 
Boiling Point: 264°C at 760 mmHg 
Vapour Pressure: 0.00996 mmHg at 25°C 
The molecular structure of  Lavamenthe with CAS NO.of  90-42-6:

Uses

 Lavamenthe (CAS NO.90-42-6) is used as chemical product and intermediate.

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 7800mg/kg (7800mg/kg)   Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 20, 1974.
rat LD50 oral 5gm/kg (5000mg/kg)   Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 20, 1974.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Mildly toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors.
Safety Statements:  22-24/25
S22:Do not breathe dust. 
S24/25:Avoid contact with skin and eyes.
RTECS:  DT7400000