Cyclohexene, 1-methyl- supplier

Name
1-METHYL-1-CYCLOHEXENE
EINECS 209-718-0
CAS No. 591-49-1
Article Data311
CAS DataBase
Density 0.817 g/cm³
Solubility 52 mg/L at 25 °C in water
Melting Point -119.4°C
Formula C₇H₁₂
Boiling Point 108.938 °C at 760 mmHg
Molecular Weight 96.1723
Flash Point 25 °F
Transport Information UN 3295
Appearance colourless liquid
Safety 16-26-36-62
Risk Codes 11-36/37/38-65
Molecular Structure
Hazard Symbols F, Xn, Xi
Synonyms 1-Methylcyclohexene;2-Methylcyclohexene;NSC 66539;a-Methylcyclohexene;
PSA 0.00000
LogP 2.50670

Synthetic route

: 1192-37-6
methylenecyclohexane

: 591-49-1
1-methylcyclohex-1-ene

Conditions

Conditions	Yield
In water Ambient temperature;	99%
With Grotjahn’s catalyst In [(2)H6]acetone at 70℃; for 1h; Reagent/catalyst; Inert atmosphere; Glovebox;	98%
With (μ-Cl)2Ni2(1,3-bis(2,6-diisopropylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene)2 In dichloromethane at 20℃; for 3h;	79%

: 42288-78-8, 42288-79-9
cis-methyl-2 phenylacetoxy cyclohexane

A: 591-49-1
1-methylcyclohex-1-ene

B: 591-48-0
3-methyl-1-cyclohexene

C: 124-38-9
carbon dioxide

D: 82166-21-0
methyl cyclohexane

Conditions

Conditions	Yield
In pentane Irradiation; Further byproducts given;	A 1.4% B 13% C 97% D 6.7%

...Expand

: 917-64-6
methyl magnesium iodide

: 108-94-1
cyclohexanone

: 591-49-1
1-methylcyclohex-1-ene

Conditions

Conditions	Yield
Stage #1: methyl magnesium iodide; cyclohexanone In diethyl ether Stage #2: With iodine In toluene Heating;	95%
Yield given. Multistep reaction;
2) dehydration; Yield given. Multistep reaction;

: 676-58-4
methylmagnesium chloride

: 108-94-1
cyclohexanone

: 591-49-1
1-methylcyclohex-1-ene

Conditions

Conditions	Yield
Stage #1: methylmagnesium chloride; cyclohexanone In tetrahydrofuran at -10 - 0℃; for 0.5h; Inert atmosphere; Stage #2: With toluene-4-sulfonic acid In 1,2-dichloro-ethane Reflux;	92%

: 590-67-0
1-Methylcyclohexanol

: 591-49-1
1-methylcyclohex-1-ene

Conditions

Conditions	Yield
With phosphoric acid at 110 - 120℃;	91%
With aluminum(III) sulfate; iodine
With aluminum(III) sulfate; toluene-4-sulfonic acid

: 590-67-0
1-Methylcyclohexanol

: 108-24-7
acetic anhydride

A: 591-49-1
1-methylcyclohex-1-ene

B: 16737-30-7
1-acetoxy-1-methyl-cyclohexane

Conditions

Conditions	Yield
With scandium tris(trifluoromethanesulfonate) In acetonitrile at -20℃; for 5h;	A 9% B 91%

...Expand

: 590-67-0
1-Methylcyclohexanol

A: 591-49-1
1-methylcyclohex-1-ene

B: 16737-30-7
1-acetoxy-1-methyl-cyclohexane

Conditions

Conditions	Yield
With acetic anhydride; scandium tris(trifluoromethanesulfonate) In acetonitrile at -20℃; for 5h;	A 9% B 91%

: 1192-37-6
methylenecyclohexane

A: 591-49-1
1-methylcyclohex-1-ene

B: 82166-21-0
methyl cyclohexane

Conditions

Conditions	Yield
With ammonium hypophosphorous acid; palladium on activated charcoal In benzene for 3h;	A n/a B 87%

: 13151-07-0
2-methyl-1,7-octadiene

: 591-49-1
1-methylcyclohex-1-ene

Conditions

Conditions	Yield
With trans-dichlorobis(2,6-dibromphenoxy)oxotungsten(VI); tetraethyllead(IV) In various solvent(s) at 90℃; for 2h;	84%

: 57337-77-6
1-(N,N-Dichloroamino)-1-methylcyclohexane

A: 591-49-1
1-methylcyclohex-1-ene

B: 1192-37-6
methylenecyclohexane

Conditions

Conditions	Yield
In neat (no solvent) at 210℃; Product distribution; var. reactor materials;	A 80% B 20%

: all-cis-1,3-bis(methansulfonyloxy)-2-methylcyclohexan

: 591-49-1
1-methylcyclohex-1-ene

Conditions

Conditions	Yield
With tetra-n-propylammonium bromide In N,N-dimethyl-formamide electrochemical reduction (Pt-electrode);	73%

: 1713-33-3
1,2-epoxy-1-methylcyclohexane

: 591-49-1
1-methylcyclohex-1-ene

Conditions

Conditions	Yield
With bis(acetylacetonate)nickel(II); diethylzinc In tetrahydrofuran; hexane Inert atmosphere;	72%
With trifluoroacetic acid; selenobenzamide In dichloromethane at 0℃; for 0.0833333h; Mechanism; With other reagents are dicussed.;	51 % Chromat.
With trifluoroacetic acid; selenobenzamide In dichloromethane at 0℃; for 0.0833333h; With other reagents are discussed.;	51 % Chromat.

: 21378-21-2
3-methylcyclohex-2-en-1-ol

: 591-49-1
1-methylcyclohex-1-ene

Conditions

Conditions	Yield
With methanol; toluene-4-sulfonic acid at 25℃; for 18h; Inert atmosphere; Sealed tube; UV-irradiation;	71%

: 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

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%

...Expand

: 108-88-3
toluene

A: 591-49-1
1-methylcyclohex-1-ene

B: 4313-57-9
2,5-dihydrotoluene

C: 591-48-0
3-methyl-1-cyclohexene

Conditions

Conditions	Yield
With lithium; ethylenediamine; isopropyl alcohol at 85 - 95℃; for 0.333333h;	A n/a B 67% C n/a

...Expand

: 14359-89-8
4-methyl-1,2-diazaspiro<2.5>oct-1-ene

A: 591-49-1
1-methylcyclohex-1-ene

B: 591-48-0
3-methyl-1-cyclohexene

Conditions

Conditions	Yield
With β‐cyclodextrin for 2h; Irradiation;	A 66% B 34 % Chromat.
With alpha cyclodextrin for 2h; Irradiation;	A 72 % Chromat. B 28 % Chromat.

: 590-67-0
1-Methylcyclohexanol

A: 591-49-1
1-methylcyclohex-1-ene

B: 16737-30-7
1-acetoxy-1-methyl-cyclohexane

C: 91328-33-5
1'-methylcyclohexyl 3-oxobutanoate

D: 431-03-8
dimethylglyoxal

Conditions

Conditions	Yield
With acetic anhydride; cobalt(II) chloride In acetonitrile at 80℃; for 12h;	A 10% B 65% C 19% D n/a

...Expand

: 590-67-0
1-Methylcyclohexanol

: 108-24-7
acetic anhydride

A: 591-49-1
1-methylcyclohex-1-ene

B: 16737-30-7
1-acetoxy-1-methyl-cyclohexane

C: 91328-33-5
1'-methylcyclohexyl 3-oxobutanoate

D: 431-03-8
dimethylglyoxal

Conditions

Conditions	Yield
With cobalt(II) chloride In acetonitrile at 80℃; for 12h;	A 10% B 65% C 19% D n/a

...Expand

: 52826-41-2
4-methyl-N'-(2-methylcyclohexylidene)benzenesulfonohydrazide

: 591-49-1
1-methylcyclohex-1-ene

Conditions

Conditions	Yield
With tetraethylammonium bromide In N,N-dimethyl-formamide at 20℃;	54%
With tetrabutylammonium perchlorate; oxygen In dimethyl sulfoxide for 12h; Ambient temperature; electrolysis;	46.6%

: 201230-82-2
carbon monoxide

: 32363-21-6
2-methyl-1-cyclohexenyl triflate

A: 591-49-1
1-methylcyclohex-1-ene

B: 54625-15-9
2-methylcyclohex-1-ene-1-carbaldehyde

Conditions

Conditions	Yield
With tri-n-butyl-tin hydride; lithium chloride; tetrakis(triphenylphosphine) palladium(0) In tetrahydrofuran at 50℃;	A 8 % Chromat. B 53%

...Expand

: 532-27-4
1-chloroacetophenone

A: 591-49-1
1-methylcyclohex-1-ene

: 60795-74-6, 60795-83-7, 84711-03-5, 84711-04-6, 134930-34-0
4a-methyl-1,2,3,4,4a,9,10,10aβ-octahydro-9-phenanthrone

Conditions

Conditions	Yield
With silver trifluoromethanesulfonate In acetonitrile for 1h; Irradiation;	A n/a B 45%

: 13697-84-2
1-methoxy-5-methyl-cyclohexa-1,4-diene

A: 591-49-1
1-methylcyclohex-1-ene

B: 591-48-0
3-methyl-1-cyclohexene

C: 88739-07-5
1-methoxy-5-methyl-bicyclo<3.1.0>hexane

Conditions

Conditions	Yield
With hydrogenchloride; amalgamated zinc In diethyl ether at -35℃;	A n/a B n/a C 40%
With hydrogenchloride; amalgamated zinc In diethyl ether at -35℃;

...Expand

: cis-trans-1,3-bis(methansulfonyloxy)-2-methylcyclohexan

A: 591-49-1
1-methylcyclohex-1-ene

B: 90271-67-3
endo-6-Methylbicyclo<3.1.0>hexan

Conditions

Conditions	Yield
With tetra-n-propylammonium bromide In N,N-dimethyl-formamide electrochemical reduction (Pt-electrode);	A 40% B 9%

: 286-08-8
bicyclo[4.1.0]heptane

A: 591-49-1
1-methylcyclohex-1-ene

B: 591-48-0
3-methyl-1-cyclohexene

C: 628-92-2
Cycloheptene

Conditions

Conditions	Yield
With iodine In dichloromethane for 8h; Irradiation;	A 7% B 39% C 0.2%
With iodine In dichloromethane for 8h; Product distribution; Quantum yield; Irradiation; different reaction circumstances;

...Expand

: 7560-64-7
4-methyl-cyclohex-3-enecarbaldehyde

A: 591-49-1
1-methylcyclohex-1-ene

B: 106-42-3
para-xylene

C: 104-87-0
4-methyl-benzaldehyde

D: 108-88-3
toluene

Conditions

Conditions	Yield
With palladium on carbon at 300℃; under 760.051 Torr; Inert atmosphere;	A n/a B n/a C 22% D 27%

...Expand

: 1-methyl-4,5-threo-bis(benzenesulphonyl)cyclohexene

: 591-49-1
1-methylcyclohex-1-ene

Conditions

Conditions	Yield
With ammonia; lithium	23%

: 67-56-1
methanol

: 40648-08-6
2-methyl-1-iodo-1-cyclohexene

A: 591-49-1
1-methylcyclohex-1-ene

B: 16642-49-2
1-chloro-2-methylcyclohexene

Conditions

Conditions	Yield
at 40℃; for 10h; Irradiation;	A 12% B 21%

...Expand

: 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

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%

...Expand

: 42288-78-8, 42288-79-9
cis-methyl-2 phenylacetoxy cyclohexane

A: 591-49-1
1-methylcyclohex-1-ene

B: 591-48-0
3-methyl-1-cyclohexene

C: 82166-21-0
methyl cyclohexane

D: 103-29-7
1,1'-(1,2-ethanediyl)bisbenzene

Conditions

Conditions	Yield
In pentane Irradiation; Further byproducts given;	A 1.4% B 13% C 6.7% D 2.7%

...Expand

: 591-49-1
1-methylcyclohex-1-ene

: 1713-33-3
1,2-epoxy-1-methylcyclohexane

Conditions

Conditions	Yield
With tris(1,4-dihydro-2-methyl-4-oxo-1-(2-phenylethyl)-3-pyridinolato)iron(III); oxygen; isobutyraldehyde In 1,2-dichloro-ethane at 60℃; for 22h;	100%
With tert.-butylhydroperoxide; C14H25Cl2MoO6P In 2,2,4-trimethylpentane; dichloromethane at 19.9℃; for 24h;	100%
With sodium persulfate; water at 20℃; for 12h; Reagent/catalyst;	100%

: 591-49-1
1-methylcyclohex-1-ene

: 82166-21-0
methyl cyclohexane

Conditions

Conditions	Yield
With hydrogen In neat (no solvent) at 70℃; for 5h; Catalytic behavior; Flow reactor;	100%
With C40H56N2RuSi4; hydrogen In toluene at 25℃; under 760.051 Torr; for 3h; Schlenk technique;	99%
With C40H56FeN2Si4(2-); hydrogen In 1,2-dimethoxyethane at 80℃; under 7600.51 Torr; for 2h; Schlenk technique; Autoclave;	99%

: 591-49-1
1-methylcyclohex-1-ene

: 123-38-6
propionaldehyde

: 85995-78-4
(methyl-2' cyclohexyl)-1 propanone-1

Conditions

Conditions	Yield
With dibenzoyl peroxide at 90℃; for 10h;	100%

: 591-49-1
1-methylcyclohex-1-ene

: 107-19-7
propargyl alcohol

: 118616-30-1
2-Bromo-1-methyl-1-prop-2-ynyloxy-cyclohexane

Conditions

Conditions	Yield
With N-Bromosuccinimide at 0℃; for 1h;	100%

: 617-86-7
triethylsilane

: 591-49-1
1-methylcyclohex-1-ene

: triethyl(cis-2-methylcyclohexyl)silane

Conditions

Conditions	Yield
With C14H26B22Cl22Zn at 20℃; for 0.25h; Inert atmosphere; Glovebox;	100%
With fluorotris(pentafluorophenyl)phosphonium tetrakis(pentafluorophenyl)borate In dichloromethane at 20℃; for 1h; Inert atmosphere;	96%
With C33H36F5N2Zn(1+)*C24BF20(1-) In dichloromethane-d2 at 20℃; for 14h;
With C29H42AlN2(1+)*C24BF20(1-) In chlorobenzene at 20℃; for 0.166667h;	82 %Spectr.

: 591-49-1
1-methylcyclohex-1-ene

: 931-77-1
1-bromo-1-methylcyclohexane

Conditions

Conditions	Yield
With (R)-2,6-di([1,1'-biphenyl]-4-yl)-4-hydroxydinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine-4-oxide; boron tribromide In dichloromethane-d2 at 20℃; for 1h;	99%
With hydrogen bromide In water at 45℃; for 48h;	68.7%
With hydrogen bromide; acetic acid; diphenylamine
With hydrogen bromide; acetic acid
With hydrogen bromide; silica gel In water at 0 - 20℃; for 48h; Reagent/catalyst;	98 %Spectr.

: 10043-11-5
ammonia borane complex

: 591-49-1
1-methylcyclohex-1-ene

: aminodi-2-methylcyclohexylborane

Conditions

Conditions	Yield
In tetrahydrofuran Reflux; Inert atmosphere;	97%

: 591-49-1
1-methylcyclohex-1-ene

: 2880-58-2
2-methoxy-1,4-benzoquinone

: 137123-26-3
3-Methoxy-5a-methyl-5a,6,7,8-tetrahydro-dibenzofuran-2-ol

Conditions

Conditions	Yield
With titanium tetrachloride In dichloromethane 1.) -78 deg C, 1 h, 2.) -78 deg C to r.t., 12 h;	96.6%

: 591-49-1
1-methylcyclohex-1-ene

: 3128-07-2
6-oxoheptanoic acid

Conditions

Conditions	Yield
With dihydrogen peroxide; 12-tungstophosphoric acid/Al/C In tert-butyl alcohol at 60℃; for 24h;	96%
With tris(cetylpyridinium) 12-tungstophosphate; dihydrogen peroxide In tert-butyl alcohol for 24h; Heating;	90%
With tert.-butylhydroperoxide; indium(III) chloride In water at 90℃; for 8.2h;	84%

: 591-49-1
1-methylcyclohex-1-ene

: 114124-63-9
[Chloro-(3,4-dichloro-phenylsulfanyl)-methyl]-trimethyl-silane

: 1,2-Dichloro-4-[2-methyl-cyclohex-(E)-ylidenemethylsulfanyl]-benzene

Conditions

Conditions	Yield
With tin(IV) chloride In dichloromethane at -20℃; for 0.5h;	96%

: 591-49-1
1-methylcyclohex-1-ene

: 111-64-8
n-octanoic acid chloride

: 1-(2-methyl-2-cyclohexen-1-yl)octan-1-one

Conditions

Conditions	Yield
With 2,6-Dibromopyridine; aluminum (III) chloride In dichloromethane at 20℃; for 3h; Inert atmosphere;	96%

: 591-49-1
1-methylcyclohex-1-ene

: 56860-91-4
1,2-dibromo-1-methylcyclohexane

Conditions

Conditions	Yield
With bromine In dichloromethane at 0 - 20℃; for 0.5h;	95%
With chloroform; bromine
With 4DABCO6HBr4Br2 In chloroform for 0.5h;	95 % Chromat.

: 591-49-1
1-methylcyclohex-1-ene

: 108-24-7
acetic anhydride

: 15564-32-6
1-(2-methyl-cyclohex-2-enyl)-ethanone

Conditions

Conditions	Yield
With hydrogenchloride; silver hexafluoroantimonate In acetic acid for 12h; Ambient temperature;	95%
ethylaluminum dichloride In dichloromethane at 25℃; for 1h;	55%
With tin(IV) chloride
With zinc(II) chloride

: 591-49-1
1-methylcyclohex-1-ene

: 118622-94-9
N-(4-methylphenylaminothio)phthalimide

: N-(4-methylphenyl)-2-methylenecyclohexane-1-sulfenamide

Conditions

Conditions	Yield
With triethylamine In acetone at 20℃;	95%

: 591-49-1
1-methylcyclohex-1-ene

: 22306-37-2, 29094-03-9, 36476-26-3, 73206-34-5
bismuth(III) acetate

: cis-2-acetoxy-1-methylcyclohexanol

Conditions

Conditions	Yield
With water; iodine In acetic acid at 90℃; for 2.5h;	95%

: 591-49-1
1-methylcyclohex-1-ene

: 122540-68-5, 130721-14-1, 141038-94-0
(1RS,2SR)-2-bromo-1-fluoro-1-methylcyclohexene

Conditions

Conditions	Yield
With N-Bromosuccinimide; 1-ethyl-3-methylimidazolium oligo hydrogenfluoride In dichloromethane at 20℃; for 1h;	95%
With N-Bromosuccinimide; 3-ethyl-1-methyl-imidazorium oligo hydrogen fluoride In dichloromethane at 20℃; for 1h;	95%
With N-Bromosuccinimide; 3-ethyl-1-methylimidazolium oligo hydrogen fluoride In dichloromethane at 20℃; for 1h;	95%

: 591-49-1
1-methylcyclohex-1-ene

: 4209-24-9
p-methylphenacyl chloride

: 145474-36-8
4a,6-Dimethyl-2,3,4,4a,10,10a-hexahydro-1H-phenanthren-9-one

Conditions

Conditions	Yield
With silver trifluoromethanesulfonate In benzene for 1h; Irradiation;	95%

: 591-49-1
1-methylcyclohex-1-ene

: 4-acetylamino-2,2,6,6-tetramethylpiperidine-1-oxoammonium tetrafluoroborate

: 2-methylene-1-[4-acetamido(2,2,6,6-tetramethylpiperidin-1-yl)oxy]cyclohexane

Conditions

Conditions	Yield
Stage #1: 1-methylcyclohex-1-ene; 4-acetylamino-2,2,6,6-tetramethylpiperidine-1-oxoammonium tetrafluoroborate In acetonitrile at 20℃; for 1.5h; Stage #2: With sodium carbonate	95%

: 591-49-1
1-methylcyclohex-1-ene

: trans-2-bromo-1-methylcyclohexanol

Conditions

Conditions	Yield
With water In acetone at 20℃; for 0.0833333h;	95%

: 591-49-1
1-methylcyclohex-1-ene

: 69954-99-0
1,2-dichloro-1-methylcyclohexane

Conditions

Conditions	Yield
With manganese(IV) oxide; acetyl chloride; manganese(ll) chloride In N,N-dimethyl-formamide at 30℃; for 2h;	94%
With ; calcium chloride In acetic acid Heating;	74%
With diethyl ether; chlorine
With molybdenum(V) chloride In dichloromethane at -78℃;
With 1-nitrocyclohexene; titanium tetrachloride In dichloromethane at 25℃; for 0.5h;	21 % Chromat.

Cyclohexene, 1-methyl- Specification

The Cyclohexene, 1-methyl- is an organic compound with the molecular formula of C₇H₁₂. The IUPAC name of this chemical is 1-methylcyclohexene. With the CAS registry number 591-49-1, it is also named as 3-Methyl-1-cyclohexene. It is colourless liquid which is stable, but may be prone to polymerization. And it may be stabilized by the addition of around 10 ppm hydroquinone. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.333; (4)ACD/LogD (pH 7.4): 3.333; (5)ACD/BCF (pH 5.5): 201.066; (6)ACD/BCF (pH 7.4): 201.066; (7)ACD/KOC (pH 5.5): 1550.019; (8)ACD/KOC (pH 7.4): 1550.019; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.456; (14)Molar Refractivity: 31.978 cm³; (15)Molar Volume: 117.732 cm³; (16)Polarizability: 12.677×10^-24cm³; (17)Surface Tension: 25.525 dyne/cm; (18)Density: 0.817 g/cm³; (19)Flash Point: °C; (20)Enthalpy of Vaporization: 33.33 kJ/mol; (21)Boiling Point: 108.938 °C at 760 mmHg; (22)Vapour Pressure: 29.712 mmHg at 25°C.

Preparation of Cyclohexene, 1-methyl-: It can be obtained by methylenecyclohexane. This reaction needs solvents liquid sulphur dioxide and H₂O at ambient temperature. The yield is 99%.

Cyclohexene, 1-methyl- can be obtained by methylenecyclohexane

Uses of Cyclohexene, 1-methyl-: It can react with methanol to get methyl-(1-methyl-cyclohexyl)-ether. This reaction needs reagent conc. H₂SO₄ at temperature of 60 °C. The reaction time is 60 hours. The yield is 37.8 %.

Cyclohexene, 1-methyl- can react with methanol to get methyl-(1-methyl-cyclohexyl)-ether

When you are using this chemical, please be cautious about it as the following:
It is highly flammable, so people should keep it away from sources of ignition. And it is irritating to eyes, respiratory system and skin. What's more, it may cause lung damage if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing. If swallowed, do not induce vomitting; seek medical advice immediately and show this container or label.

People can use the following data to convert to the molecule structure.
1. SMILES: CC1=CCCCC1
2. InChI: InChI=1/C7H12/c1-7-5-3-2-4-6-7/h5H,2-4,6H2,1H3
3. InChIKey: CTMHWPIWNRWQEG-UHFFFAOYAY

Product Name

1-METHYL-1-CYCLOHEXENE

Synthetic route

Cyclohexene, 1-methyl- Specification

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