ChemicalBook > CAS DataBase List > 1-METHYL-1-CYCLOHEXENE

1-METHYL-1-CYCLOHEXENE

Product Name
1-METHYL-1-CYCLOHEXENE
CAS No.
591-49-1
Chemical Name
1-METHYL-1-CYCLOHEXENE
Synonyms
1-METHYLCYCLOHEXENE;1-METHYLCYCLOHEX-1-ENE;1-methyl-cyclohexen;1-Methylcyclohexene-1;1-methyl-1-cyclohexane;2-METHYLCYCLOHEXENE;cyclohexene,1-methyl-;1-METHYL-1-CYCLOHEXENE;alpha-Methylcyclohexene;2,3,4,5-TETRAHYDROTOLUENE
CBNumber
CB3470604
Molecular Formula
C7H12
Formula Weight
96.17
MOL File
591-49-1.mol
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1-METHYL-1-CYCLOHEXENE Property

Melting point:
-119.4°C
Boiling point:
110-111 °C (lit.)
Density 
0.811 g/mL at 20 °C (lit.)
vapor pressure 
27.4 at 20.2 °C, 36.4 at 25.0 °C (transpiration method, Verevkin et al., 2000)
refractive index 
n20/D 1.45(lit.)
Flash point:
25 °F
storage temp. 
Sealed in dry,Room Temperature
solubility 
Soluble in benzene and ether (Weast, 1986) and miscible with many hydrocarbons similar in chemical structure, e.g., cyclohexane, cyclohexene, etc.
form 
Liquid
color 
Clear colorless
Odor
at 1.00 % in dipropylene glycol. lime citrus
Odor Type
citrus
Water Solubility 
52 mg/kg at 25 °C (shake flask-GC, McAuliffe, 1966)
BRN 
1304483
Henry's Law Constant
8.86 x 10-2 atm?m3/mol at 25 °C (approximate - calculated from water solubility and vapor pressure)
Stability:
Stable, but may be prone to polymerization. May be stabilized by the addition of around 10 ppm hydroquinone. Highly flammable. Incompatible with strong oxidizing agents.
InChIKey
CTMHWPIWNRWQEG-UHFFFAOYSA-N
LogP
3.333 (est)
CAS DataBase Reference
591-49-1(CAS DataBase Reference)
EPA Substance Registry System
Cyclohexene, 1-methyl- (591-49-1)
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Safety

Hazard Codes 
F,Xn,Xi
Risk Statements 
11-36/37/38-65
Safety Statements 
16-26-36-62
RIDADR 
UN 3295 3/PG 2
WGK Germany 
2
Hazard Note 
Irritant
TSCA 
Yes
HazardClass 
3
PackingGroup 
II
HS Code 
29021900
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Danger
Hazard statements

H225Highly Flammable liquid and vapour

H304May be fatal if swallowed and enters airways

H315Causes skin irritation

Precautionary statements

P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.

P233Keep container tightly closed.

P240Ground/bond container and receiving equipment.

P301+P310IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.

P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.

P331Do NOT induce vomiting.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
129801
Product name
1-Methyl-1-cyclohexene
Purity
97%
Packaging
5g
Price
$51.2
Updated
2024/03/01
Sigma-Aldrich
Product number
129801
Product name
1-Methyl-1-cyclohexene
Purity
97%
Packaging
25g
Price
$137
Updated
2024/03/01
TCI Chemical
Product number
M0200
Product name
1-Methyl-1-cyclohexene
Purity
>98.0%(GC)
Packaging
25mL
Price
$97
Updated
2024/03/01
TCI Chemical
Product number
M0200
Product name
1-Methyl-1-cyclohexene
Purity
>98.0%(GC)
Packaging
100mL
Price
$292
Updated
2024/03/01
Alfa Aesar
Product number
L15014
Product name
1-Methyl-1-cyclohexene, 96%
Packaging
5g
Price
$24.65
Updated
2024/03/01
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1-METHYL-1-CYCLOHEXENE Chemical Properties,Usage,Production

Chemical Properties

colourless liquid

Physical properties

Clear, colorless, very flammable, watery liquid with a characteristically unpleasant, aromatic hydrocarbon-type odor.

Uses

1-Methyl-1-cyclohexene (2,3,4,5-Tetrahydrotoluene) was used to study the secondary organic aerosol (SOA) yields from the ozonolysis of cycloalkenes.

Synthesis Reference(s)

The Journal of Organic Chemistry, 45, p. 917, 1980 DOI: 10.1021/jo01293a030

General Description

1-Methyl-1-cyclohexene (2,3,4,5-Tetrahydrotoluene) is a sterically hindered, unactivated alkene.

Environmental Fate

Photolytic. Atkinson (1985) reported a rate constant of 9.45 x 10-11 cm3/molecule?sec for the reaction of 1-methylcyclohexene with OH radicals in the atmosphere.

Purification Methods

Free it from hydroperoxides by passing through a column containing basic alumina or refluxing with cupric stearate, filter and fractionally distil it from sodium. [Vogel J Chem Soc 1332 1938, Cope et al. J Am Chem Soc 79 4729 1957, Beilstein 5 III 197, 5 VI 245.]

1-METHYL-1-CYCLOHEXENE Preparation Products And Raw materials

Raw materials

Preparation Products

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1-METHYL-1-CYCLOHEXENE Suppliers

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View Lastest Price from 1-METHYL-1-CYCLOHEXENE manufacturers

Henan Fengda Chemical Co., Ltd
Product
1-METHYL-1-CYCLOHEXENE 591-49-1
Price
US $100.00-1.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
g-kg-tons, free sample is available
Release date
2023-12-26
Zhuozhou Wenxi import and Export Co., Ltd
Product
1-Methyl-1-cyclohexene 97% 591-49-1
Price
US $15.00-10.00/KG
Min. Order
1KG
Purity
99%+ HPLC
Supply Ability
Monthly supply of 1 ton
Release date
2021-06-27
Career Henan Chemical Co
Product
1-METHYL-1-CYCLOHEXENE 591-49-1
Price
US $1.00/KG
Min. Order
1KG
Purity
98%
Supply Ability
500KG
Release date
2018-08-17

591-49-1, 1-METHYL-1-CYCLOHEXENERelated Search:

Irisone (-)-VERBENONE (-)-CARVYL PROPIONATE 1-PHENYL-1-CYCLOHEXENE 1-METHYL-1-CYCLOHEXENE 1-ACETYL-1-CYCLOHEXENE ALPHA-PINENE Methyl 1-cyclohexene-1-carboxylate 3-CARENE Terpinen-4-ol 3,5,5-TRIMETHYL-2-CYCLOHEXEN-1-OL (-)-PERILLALDEHYDE DIHYDRO CUMINYL ALCOHOL 1-Cyclohexene-1-acetonitrile alpha-Ionone Retinoic acid (1R)-(+)-ALPHA-PINENE Vitamin A

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  • 1-Methyl-1-cyclohexene, tech.75%
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