2-tert-Butylcyclohexanone supplier

Name
2-tert-Butylcyclohexanone
EINECS 217-043-8
CAS No. 1728-46-7
Article Data51
CAS DataBase
Density 0.911 g/cm³
Solubility
Melting Point 38.55°C
Formula C₁₀H₁₈O
Boiling Point 199.1 °C at 760 mmHg
Molecular Weight 154.252
Flash Point 72.2 °C
Transport Information
Appearance clear colorless to light yellow-greenish liquid
Safety 23-24/25
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Cyclohexanone,2-tert-butyl- (6CI,7CI,8CI);(?à)-2-tert-Butylcyclohexanone;2-(1,1-Dimethylethyl)cyclohexanone;Cyclohexanone,2-(1,1-dimethylethyl)-;Verdone;o-tert-Butylcyclohexanone;
PSA 17.07000
LogP 2.79180

2-tert-Butylcyclohexanone Chemical Properties

Molecule structure of 2-tert-Butylcyclohexanone (CAS NO.1728-46-7):

IUPAC Name: (2S)-2-tert-Butylcyclohexan-1-one
Molecular Weight: 154.24932 g/mol
Molecular Formula: C₁₀H₁₈O
Density: 0.911 g/cm³
Boiling Point: 199.1 °C at 760 mmHg
Flash Point: 72.2 °C
Index of Refraction: 1.456
Molar Refractivity: 45.99 cm³
Molar Volume: 169.1 cm³
Surface Tension: 31.3 dyne/cm
Enthalpy of Vaporization: 43.53 kJ/mol
Vapour Pressure: 0.348 mmHg at 25 °C
XLogP3-AA: 2.7
H-Bond Acceptor: 1
Rotatable Bond Count: 1
Tautomer Count: 3
Exact Mass: 154.135765
MonoIsotopic Mass: 154.135765
Topological Polar Surface Area: 17.1
Heavy Atom Count: 11
Canonical SMILES: CC(C)(C)C1CCCCC1=O
Isomeric SMILES: CC(C)(C)[C@@H]1CCCCC1=O
InChI: InChI=1S/C10H18O/c1-10(2,3)8-6-4-5-7-9(8)11/h8H,4-7H2,1-3H3/t8-/m1/s1
InChIKey: ZRYDPLOWJSFQAE-MRVPVSSYSA-N
EINECS: 217-043-8
Product Categories: C10; Carbonyl Compounds; Ketones

2-tert-Butylcyclohexanone Safety Profile

Hazard Codes: Xi
Safety Statements: 23-24/25
S23:Do not breathe vapour.
S24/25:Avoid contact with skin and eyes.
WGK Germany: 1
Hazard Note: Irritant

2-tert-Butylcyclohexanone Specification

2-tert-Butylcyclohexanone (CAS NO.1728-46-7) is also named as ortho-tert-Butylcyclohexanone ; 2-(1,1-Dimethylethyl)cyclohexanone ; Cyclohexanone, 2-(1,1-dimethylethyl)- . 2-tert-Butylcyclohexanone (CAS NO.1728-46-7) is clear colorless to light yellow-greenish liquid.

Product Name

2-tert-Butylcyclohexanone

2-tert-Butylcyclohexanone Chemical Properties

2-tert-Butylcyclohexanone Safety Profile

2-tert-Butylcyclohexanone Specification

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