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CAS No.: | 1462-03-9 |
---|---|
Name: | 1-Methylcyclopentanol |
Article Data: | 66 |
Molecular Structure: | |
Formula: | C6H12O |
Molecular Weight: | 100.161 |
Synonyms: | 1-Hydroxy-1-methylcyclopentane;1-Methyl-1-cyclopentanol;1-Methylcyclopentan-1-ol;NSC23230; |
EINECS: | 215-963-4 |
Density: | 0.961 g/cm3 |
Melting Point: | 36-37 °C(lit.) |
Boiling Point: | 137.1 °C at 760 mmHg |
Flash Point: | 40.6 °C |
Appearance: | white crystalline low melting solid |
Hazard Symbols: | F, Xi |
Risk Codes: | 11-22-41 |
Safety: | 26-39 |
Transport Information: | UN 1325 4.1/PG 2 |
PSA: | 20.23000 |
LogP: | 1.31140 |
cyclopentanone
methyl iodide
A
1-methylcyclopentanol
B
bicyclopentyl-1,1'-diol
Conditions | Yield |
---|---|
With Pr 1.) THF, 20 deg C, 2.) -20 deg C; | A 86% B 2% |
Conditions | Yield |
---|---|
In diethyl ether for 48h; Ambient temperature; | 70% |
Conditions | Yield |
---|---|
With water; Amberlyst 15 In isopropyl alcohol at 55℃; | 39% |
With water; Amberlyst 15 In isopropyl alcohol at 55℃; for 0.8h; Product distribution / selectivity; | 39% |
acetonitrile
A
S-Phenyl benzenethiosulfonate
C
1-methylcyclopentanol
D
S-phenyl benzenethiosulfinate
E
N-(1-methylcyclopentyl)acetamide
F
diphenyldisulfane
Conditions | Yield |
---|---|
With titanium(IV) oxide; silver sulfate In water at 20℃; for 0.5h; Irradiation; | A n/a B 0.8% C 27.3% D n/a E 5.5% F n/a |
Conditions | Yield |
---|---|
With palladium 10% on activated carbon In diethyl ether; toluene at 0℃; Inert atmosphere; | 22% |
With diethyl ether |
methyl magnesium iodide
1-hydroxycyclopentanecarbonitrile
1-methylcyclopentanol
Conditions | Yield |
---|---|
With diethyl ether |
1-methyl-4-nitrosobenzene
1-methyl-cyclopentyl hydroperoxide
A
n-hexan-2-one
B
1-methylcyclopentanol
C
2-oxo-propionic acid
1-chloro-1-methylcyclopentane
A
1-methylcyclopent-1-ene
B
1-methylcyclopentanol
Conditions | Yield |
---|---|
With water In ethanol at 30℃; Rate constant; solvolysis reaction; | |
With calcium hydroxide; water at 35℃; |
1-methyl-cyclopentyl hydroperoxide
A
n-hexan-2-one
B
6-hydroxy-2-hexanone
C
1-methylcyclopentanol
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This chemical is called Cyclopentanol, 1-methyl-, and its systematic name is 1-Methylcyclopentanol. With the molecular formula of C6H12O, its product categories are Medical Intermediates; Alcohols; C2 to C6; Oxygen Compounds. The CAS registry number of this chemical is 1462-03-9. In addition, this chemical should be sealed in the cool and dry place, away from oxides.
Other characteristics of the Cyclopentanol, 1-methyl- can be summarised as followings: (1)ACD/LogP: 1.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.32; (4)ACD/LogD (pH 7.4): 1.32; (5)ACD/BCF (pH 5.5): 5.9; (6)ACD/BCF (pH 7.4): 5.9; (7)ACD/KOC (pH 5.5): 124.06; (8)ACD/KOC (pH 7.4): 124.06; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.473; (14)Molar Refractivity: 29.26 cm3; (15)Molar Volume: 104.1 cm3; (16)Polarizability: 11.6×10-24cm3; (17)Surface Tension: 33.5 dyne/cm; (18)Density: 0.961 g/cm3; (19)Flash Point: 40.6 °C; (20)Enthalpy of Vaporization: 43.63 kJ/mol; (21)Boiling Point: 137.1 °C at 760 mmHg; (22)Vapour Pressure: 3.03 mmHg at 25°C.
Production method of this chemical: The Cyclopentanol, 1-methyl- could be obtained by the reactants of cyclopentanone and Triisopropoxy-methyl-titan. This reaction needs the solvent of diethyl ether. The yield is 70 %. In addition, this reaction should be taken for 48 hours at the ambienet temperature.
Uses of this chemical: The Cyclopentanol, 1-methyl- could react with benzoyl trifluoromethanesulfonate, and obtain the 1-methylcyclopentanol benzoate. This reaction needs the reagent of pyridine, and the solvent of CH2Cl2. The yield is 81 %.
When you are using this chemical, please be cautious about it as the following: This chemical is highly flammable or harmful if swallowed. It has risk of serious damage to the eyes. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: OC1(C)CCCC1
2.InChI: InChI=1/C6H12O/c1-6(7)4-2-3-5-6/h7H,2-5H2,1H3
3.InChIKey: CAKWRXVKWGUISE-UHFFFAOYAG