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CAS No.: | 3637-61-4 |
---|---|
Name: | Cyclopentanemethanol |
Article Data: | 83 |
Molecular Structure: | |
Formula: | C6H12O |
Molecular Weight: | 100.161 |
Synonyms: | (Hydroxymethyl)cyclopentane;Cyclopentanemethan-1-ol;Cyclopentylcarbinol;Cyclopentylmethanol;Cyclopentylmethyl alcohol;NSC 102763; |
EINECS: | 222-861-3 |
Density: | 0.934 g/cm3 |
Melting Point: | 121-123 °C(Solv: hexane (110-54-3)) |
Boiling Point: | 162.999 °C at 760 mmHg |
Flash Point: | 62.222 °C |
Appearance: | Clear colourless liquid |
Risk Codes: | 36/37/38 |
Safety: | 23-24/25 |
Transport Information: | UN 1987 |
PSA: | 20.23000 |
LogP: | 1.16890 |
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The Cyclopentanemethanol, with the CAS registry number 3637-61-4 and EINECS registry number 222-861-3, is also called Cyclopentylmethanol. It is a kind of clear colourless liquid, and should be stored in sealed containers with dry and cool environment. And the molecular formula of this chemical is C6H12O.
The physical properties of Cyclopentanemethanol are as followings: (1)ACD/LogP: 1.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.31; (4)ACD/LogD (pH 7.4): 1.31; (5)ACD/BCF (pH 5.5): 5.81; (6)ACD/BCF (pH 7.4): 5.81; (7)ACD/KOC (pH 5.5): 122.59; (8)ACD/KOC (pH 7.4): 122.59; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.458; (14)Molar Refractivity: 29.28 cm3; (15)Molar Volume: 107.2 cm3; (16)Polarizability: 11.61×10-24cm3; (17)Surface Tension: 35.1 dyne/cm; (18)Density: 0.933 g/cm3; (19)Flash Point: 62.2 °C; (20)Enthalpy of Vaporization: 46.53 kJ/mol; (21)Boiling Point: 163 °C at 760 mmHg; (22)Vapour Pressure: 0.721 mmHg at 25°C.
Uses of Cyclopentanemethanol: It can react with 2-morpholin-4-yl-ethanol to produce 2-cyclopentylmethoxy-5-nitro-pyridine. This reaction will need reagent NaH, and the solvent tetrahydrofuran. The reaction time is 1 hour with temperature of 0°C, and the yield is about 55.8%.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer), and avoid contacting with skin and eyes.
You can still convert the following datas into molecular structure:
(1)SMILES: OCC1CCCC1
(2)InChI: InChI=1/C6H12O/c7-5-6-3-1-2-4-6/h6-7H,1-5H2
(3)InChIKey: ISQVBYGGNVVVHB-UHFFFAOYAF