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14765-30-1

Basic Information
CAS No.: 14765-30-1
Name: 2-SEC-BUTYLCYCLOHEXANONE
Article Data: 15
Molecular Structure:
Molecular Structure of 14765-30-1 (2-SEC-BUTYLCYCLOHEXANONE)
Formula: C10H18 O
Molecular Weight: 154.252
Synonyms: Cyclohexanone,2-sec-butyl- (7CI,8CI); 2-(1-Methylpropyl)cyclohexanone;2-sec-Butylcyclohexanone; Freskomenthe; NSC 21146
Density: 0.912 g/mL at 25 °C(lit.)
Melting Point: 27.18°C (estimate)
Boiling Point: 76-78 °C8 mm Hg(lit.)
Flash Point: 181 °F
Solubility: 577mg/L at 20℃
Safety: Moderately toxic by ingestion. Low toxicity by skin contact. When heated to decomposition it emits acrid smoke and irritating vapors.
PSA: 17.07000
LogP: 2.79180
Synthetic route
557-20-0

diethylzinc

2-Eth-(E)-ylidene-cyclohexanone

14765-30-1

2-sec-butylcyclohexanone

Conditions
ConditionsYield
With N-benzylbenzenesulfonamide; mesitylcopper(I) In toluene at 0℃; for 6h;90%
34006-70-7

2,6-dibromocyclohexanone

lithium sec-butyl-(2-methyl-propan-2-olato)-cuprate(1-)

14765-30-1

2-sec-butylcyclohexanone

Conditions
ConditionsYield
In tetrahydrofuran at -78℃;
91055-78-6

2-(1-methylpropylidene)cyclohexanone

14765-30-1

2-sec-butylcyclohexanone

Conditions
ConditionsYield
With hydrogen; palladium
590-18-1

(Z)-2-Butene

21300-30-1

lithium 1-cyclohexenolate

A

14765-30-1

2-sec-butylcyclohexanone

B

71501-12-7

2,6-di(sec-butyl)cyclohexanone

Conditions
ConditionsYield
Yield given. Multistep reaction. Yields of byproduct given;
624-64-6

trans-2-Butene

21300-30-1

lithium 1-cyclohexenolate

A

14765-30-1

2-sec-butylcyclohexanone

B

71501-12-7

2,6-di(sec-butyl)cyclohexanone

Conditions
ConditionsYield
Yield given. Multistep reaction. Yields of byproduct given;
7417-55-2

(E)-2-ethylidenecyclohexan-1-one

Zn(C2H5)2

Zn(C2H5)2

A

14765-30-1

2-sec-butylcyclohexanone

B

1-ethyl-2-ethylidenecyclohexan-1-ol

Conditions
ConditionsYield
N-benzylbenzenesulfonamide; mesitylcopper(I) In toluene at 0℃; for 6h; Addition;A 90 % Chromat.
B n/a
23029-03-0

1-acetoxy-6-bromo-cyclohexene

14765-30-1

2-sec-butylcyclohexanone

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: Zn / tetrahydrofuran
2: H2 / Pd
View Scheme
14765-30-1

2-sec-butylcyclohexanone

479-27-6

naphthalene-1,8-diamine

C20H26N2

Conditions
ConditionsYield
With toluene-4-sulfonic acid In propan-1-ol for 2h; Reflux;100%
14765-30-1

2-sec-butylcyclohexanone

62-53-3

aniline

1100691-75-5

(-)-N-(phenyl)-[2-sec-butylcyclohexyl]amine

Conditions
ConditionsYield
Stage #1: 2-sec-butylcyclohexanone; aniline With [(R)-BINAP]PdBr2 In chloroform for 0.166667h; Inert atmosphere;
Stage #2: With hydrogen In chloroform at 70℃; under 41372.9 Torr; for 24h; enantioselective reaction;
80%
75-18-3

dimethylsulfide

14765-30-1

2-sec-butylcyclohexanone

67-68-5

dimethyl sulfoxide

3-(sec-butyl)-6-(methylthio)benzene-1,2-diol

Conditions
ConditionsYield
With iodine at 80℃; for 24h; Sealed tube;56%
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Chemistry

Systematic (IUPAC) name: 2-(1-METHYLPROPYL)CYCLOHEXANONE
Synonyms: 2-(1-methylpropyl)-cyclohexanon ; 2-sec-butyl-cyclohexanon ; FRESKOMENTHE ; FEMA 3261 ; 2-SEC-BUTYLCYCLOHEXANONE
Empirical Formula: C10H18O
Molecular Weight: 154.28g/mol

Index of Refraction:  1.452 
Molar Volume:  171.5 cm3 
Surface Tension:  30.1 dyne/cm 
Flash Point:  75.8 °C 
Boiling Point:  213.5 °C at 760 mmHg 
Polar Surface Area:  17.07 ?2 
Molar Refractivity:  46.29 cm3 
Polarizability:  18.35 10-24cm3 
Density:  0.899 g/cm3 
Enthalpy of Vaporization:  44.98 kJ/mol 
Vapour Pressure:  0.163 mmHg at 25°C 

Structure of  2-(1-METHYLPROPYL)CYCLOHEXANONE (CAS NO. 14765-30-1)

    

                                                     

Product Category of ketones.

 

Uses

Used to manufacture medicine.

Toxicity Data With Reference

1.    

orl-rat LD50:2400 mg/kg

    FCTOD7    Food and Chemical Toxicology. 30 (1992),11S.
2.    

skn-rbt LD50:>5 g/kg

    FCTOD7    Food and Chemical Toxicology. 30 (1992),11S.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Moderately toxic by ingestion. Low toxicity by skin contact. When heated to decomposition it emits acrid smoke and irritating vapors.

Safety Statements: 24/25

S24/25:Avoid contact with skin and eyes.

 

Specification

2-(1-METHYLPROPYL)CYCLOHEXANONE , its cas register number is 14765-30-1. It also can be called  2-(1-methylpropyl)-cyclohexanon ; 2-sec-butyl-cyclohexanon ; FRESKOMENTHE ; FEMA 3261 ; 2-SEC-BUTYLCYCLOHEXANONE .

It is hazardous. Moderately toxic by ingestion. Low toxicity by skin contact. When heated to decomposition it emits acrid smoke and irritating vapors. So put 2-(1-METHYLPROPYL)CYCLOHEXANONE (CAS NO.14765-30-1) out of the touch of children and keep it in cool place.