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| CAS No.: | 591-47-9 |
|---|---|
| Name: | 4-METHYL-1-CYCLOHEXENE |
| Article Data: | 118 |
| Molecular Structure: | |
|
|
|
| Formula: | C7H12 |
| Molecular Weight: | 96.1723 |
| Synonyms: | 4-Methyl-1-cyclohexene;4-Methylcyclohexene; NSC 9386 |
| EINECS: | 209-715-4 |
| Density: | 0.803g/cm3 |
| Melting Point: | -121 °C |
| Boiling Point: |
101-102 °C(lit.) |
| Flash Point: | °C |
| Appearance: | CLEAR COLOURLESS LIQUID |
| Hazard Symbols: | F,Xn |
| Risk Codes: | 11-36/37/38-65 |
| Safety: | Probably an irritant and narcotic in high concentration. Very dangerous fire hazard when exposed to heat or flame; can react vigorously with oxidizing materials. To fight fire, use foam, CO2, dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes. |
| PSA: | 0.00000 |
| LogP: | 2.36260 |
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A
- 591-47-9
4-methylcyclohexene
| Conditions | Yield |
|---|---|
| In chloroform-d1 for 24h; Ambient temperature; | A 90% B n/a C 10% |
| In chloroform-d1 for 24h; Product distribution; Mechanism; Ambient temperature; | A 90% B n/a C 10% |
- 591-47-9
4-methylcyclohexene
| Conditions | Yield |
|---|---|
| With sodium dihydrogenphosphate; sodium amalgam In methanol Ambient temperature; | 85% |
A
- 2362-50-7
thianthrene-5-oxide
B
- 66922-10-9, 66922-11-0, 65500-78-9
1-iodo-4-methylcyclohexane
C
- 591-47-9
4-methylcyclohexene
D
- 92-85-3
Thianthrene
| Conditions | Yield |
|---|---|
| With potassium iodide In acetonitrile for 2h; Product distribution; Substitution; elimination; | A 76% B 38% C 35% D 23% |
- 72390-34-2
N,N-dimethyl-4-methylcyclohexylamine N-oxide
- 591-47-9
4-methylcyclohexene
| Conditions | Yield |
|---|---|
| In various solvent(s) at 96℃; for 4h; | 75% |
| at 96℃; for 4h; Product distribution; in cholesteric liquid crystals; | 75% |
- 4313-57-9
2,5-dihydrotoluene
A
- 591-49-1
1-methylcyclohex-1-ene
B
- 591-48-0
3-methyl-1-cyclohexene
C
- 591-47-9
4-methylcyclohexene
D
- 82166-21-0
methyl cyclohexane
| Conditions | Yield |
|---|---|
| With hydrogen; bis(acetylacetonate)nickel(II); triphenylphosphine In toluene at 40℃; for 8h; Yields of byproduct given; | A 67% B n/a C n/a D 2% |
| With hydrogen; bis(acetylacetonate)nickel(II); triphenylphosphine In toluene at 40℃; under 760 Torr; for 8h; Product distribution; Mechanism; different 1,4-cyclohexadienes and reaction times; | A 67% B n/a C n/a D 2% |
- 19656-98-5
5-methyl-1,3-cyclohexadiene
A
- 591-48-0
3-methyl-1-cyclohexene
B
- 591-47-9
4-methylcyclohexene
C
- 1489-57-2
2-methylcyclohexa-1,3-diene
D
- 1489-56-1
1-methyl-1,3-cyclohexadiene
E
- 108-88-3
toluene
| Conditions | Yield |
|---|---|
| rhodium(III) chloride In nitromethane; water at 45℃; for 1.33333h; Product distribution; Mechanism; variation of time; with Kat2; | A n/a B n/a C 14.3% D 66% E 4.6% |
| Conditions | Yield |
|---|---|
| With methyltriphenoxyphosphonium iodide In N,N,N,N,N,N-hexamethylphosphoric triamide at 50 - 60℃; for 2h; | 54% |
| durch Behandeln mit wasserabspaltenden Mitteln; | |
| With phosphoric acid at 105℃; |
A
- 2362-50-7
thianthrene-5-oxide
B
- 591-47-9
4-methylcyclohexene
C
- 7731-28-4
cis-4-methylcyclohexanol
D
- 92-85-3
Thianthrene
| Conditions | Yield |
|---|---|
| With potassium iodide In acetonitrile for 2h; Product distribution; Substitution; elimination; | A 52% B 52% C 46% D 48% |
| With potassium carbonate In acetonitrile for 1.33333h; Product distribution; other reaction time, temperature; effect of absence of K2CO3; other reaction conditions; | A 104 % Chromat. B 2.13 % Chromat. C 88.4 % Chromat. D 8.64 % Chromat. |
| Conditions | Yield |
|---|---|
| With triisopropoxytitanium(IV) chloride In diethyl ether at 20℃; Inert atmosphere; stereoselective reaction; | A 40% B 25% |
- 108296-73-7
C7H12Pt(Cl)4
A
- 591-49-1
1-methylcyclohex-1-ene
B
- 591-48-0
3-methyl-1-cyclohexene
C
- 628-92-2
Cycloheptene
D
- 591-47-9
4-methylcyclohexene
E
- 1192-37-6
methylenecyclohexane
| Conditions | Yield |
|---|---|
| With potassium cyanide In diethyl ether Refluxing in ether for 1 h, evapn. of ether in vac., treating of residue with aq. KCN.; Extg. with CHCl3, NMR, MS. Further products.; | A 13.6% B 10% C 2.8% D 4.3% E 9.8% |
- Total:15 Page 1 of 1 1
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Chemistry
Synonyms: 4-Methylcyclohex-1-ene;4-methyl-cyclohexen;4-Methylcyclohexene-1;cyclohexene,4-methyl-;1,2,3,6-TETRAHYDROTOLUENE;4-METHYL-1-CYCLOHEXENE;4-METHYLCYCLOHEXENE;METHYL CYCLOHEXENE
CAS: 591-47-9
MF: C7H12
MW: 96.17
EINECS: 209-715-4
mp: -121 °C
bp: 101-102 °C(lit.)
density: 0.799 g/mL at 25 °C(lit.)
refractive index: n20/D 1.442
Fp: 30 °F
appearence: colorless clear liquid
Uses
Safety Profile
Probably an irritant and narcotic in high concentration. Very dangerous fire hazard when exposed to heat or flame; can react vigorously with oxidizing materials. To fight fire, use foam, CO2, dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes.
Hazard Codes: F,Xn
Risk Statements: 11-36/37/38-65
Safety Statements: 9-16-26-29-36-62
RIDADR: UN 3295 3/PG 2
WGK Germany: 3
HazardClass: 3.1
PackingGroup: II
Specification
It should be stored in cool, dry place in tightly sealed containers away from heat and light.