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1-Methylcyclopentanol
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Name

1-Methylcyclopentanol

 EINECS 215-963-4
CAS No. 1462-03-9 Density 0.961 g/cm3
PSA 20.23000 LogP 1.31140
Solubility N/A Melting Point 36-37 °C(lit.)
Formula C6H12O Boiling Point 137.1 °C at 760 mmHg
Molecular Weight 100.161 Flash Point 40.6 °C
Transport Information UN 1325 4.1/PG 2 Appearance white crystalline low melting solid
Safety 26-39 Risk Codes 11-22-41
Molecular Structure Molecular Structure of 1462-03-9 (1-Methylcyclopentanol) Hazard Symbols FlammableF, IrritantXi
Synonyms

1-Hydroxy-1-methylcyclopentane;1-Methyl-1-cyclopentanol;1-Methylcyclopentan-1-ol;NSC23230;

Article Data 66

1-Methylcyclopentanol Synthetic route

120-92-3

cyclopentanone

74-88-4

methyl iodide

A

1462-03-9

1-methylcyclopentanol

B

5181-75-9

bicyclopentyl-1,1'-diol

Conditions
ConditionsYield
With Pr 1.) THF, 20 deg C, 2.) -20 deg C;A 86%
B 2%
18006-13-8

methyltriisopropoxytitanium(IV)

120-92-3

cyclopentanone

1462-03-9

1-methylcyclopentanol

Conditions
ConditionsYield
In diethyl ether for 48h; Ambient temperature;70%
693-89-0

1-methylcyclopent-1-ene

1462-03-9

1-methylcyclopentanol

Conditions
ConditionsYield
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%

cis-2-methylcyclopentyl phenyl sulfoxide

75-05-8

acetonitrile

A

1212-08-4

S-Phenyl benzenethiosulfonate

trans-2-methylcyclopentanol

C

1462-03-9

1-methylcyclopentanol

D

1208-20-4, 6930-77-4, 133670-27-6

S-phenyl benzenethiosulfinate

E

39192-25-1

N-(1-methylcyclopentyl)acetamide

F

882-33-7

diphenyldisulfane

Conditions
ConditionsYield
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
...Expand
75-16-1

methylmagnesium bromide

120-92-3

cyclopentanone

1462-03-9

1-methylcyclopentanol

Conditions
ConditionsYield
With palladium 10% on activated carbon In diethyl ether; toluene at 0℃; Inert atmosphere;22%
With diethyl ether
917-64-6

methyl magnesium iodide

5117-85-1

1-hydroxycyclopentanecarbonitrile

1462-03-9

1-methylcyclopentanol

Conditions
ConditionsYield
With diethyl ether
623-11-0

1-methyl-4-nitrosobenzene

27115-55-5

1-methyl-cyclopentyl hydroperoxide

A

591-78-6

n-hexan-2-one

B

1462-03-9

1-methylcyclopentanol

C

127-17-3

2-oxo-propionic acid

6196-85-6

1-chloro-1-methylcyclopentane

A

693-89-0

1-methylcyclopent-1-ene

B

1462-03-9

1-methylcyclopentanol

Conditions
ConditionsYield
With water In ethanol at 30℃; Rate constant; solvolysis reaction;
With calcium hydroxide; water at 35℃;
27115-55-5

1-methyl-cyclopentyl hydroperoxide

A

591-78-6

n-hexan-2-one

B

21856-89-3

6-hydroxy-2-hexanone

C

1462-03-9

1-methylcyclopentanol

60-29-7

diethyl ether

5-oxo-hexyl magnesium (1+); iodide

64-19-7

acetic acid

1462-03-9

1-methylcyclopentanol

1-Methylcyclopentanol Specification

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

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