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CAS No.: | 90-42-6 |
---|---|
Name: | 2-CYCLOHEXYLCYCLOHEXANONE |
Article Data: | 65 |
Molecular Structure: | |
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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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:
Lavamenthe (CAS NO.90-42-6) is used as chemical product and intermediate.
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. |
Reported in EPA TSCA Inventory.
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