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| CAS No.: | 26093-63-0 |
|---|---|
| Name: | 3-METHYLTETRAHYDROPYRAN |
| Article Data: | 7 |
| Molecular Structure: | |
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|
|
| Formula: | C6H12O |
| Molecular Weight: | 100.161 |
| Synonyms: | Pyran,tetrahydro-3-methyl- (7CI);3-Methyloxane;3-Methyltetrahydropyran;Tetrahydro-3-methylpyran; |
| EINECS: | 247-455-3 |
| Density: | 0.852 g/cm3 |
| Boiling Point: | 107.3 °C at 760 mmHg |
| Flash Point: | 11 °C |
| Appearance: | COLORLESS LIQUID |
| Hazard Symbols: |
 F, Xi
|
| Risk Codes: | 11-19-36/37/38 |
| Safety: | 16-23-26-36 |
| PSA: | 9.23000 |
| LogP: | 1.43290 |
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Specification
The 2H-Pyran,tetrahydro-3-methyl- is an organic compound with the formula C6H12O. The IUPAC name of this chemical is 3-methyloxane. With the CAS registry number 26093-63-0, it is also named as 3-Methyltetrahydro-2H-pyran.
Physical properties about 2H-Pyran,tetrahydro-3-methyl- are: (1)ACD/LogP: 1.38; (2)ACD/LogD (pH 5.5): 1.38; (3)ACD/LogD (pH 7.4): 1.38; (4)ACD/BCF (pH 5.5): 6.63; (5)ACD/BCF (pH 7.4): 6.63; (6)ACD/KOC (pH 5.5): 134.73; (7)ACD/KOC (pH 7.4): 134.73; (8)#H bond acceptors: 1; (9)Polar Surface Area: 9.23 Å2; (10)Index of Refraction: 1.414; (11)Molar Refractivity: 29.37 cm3; (12)Molar Volume: 117.4 cm3; (13)Polarizability: 11.64×10-24cm3; (14)Surface Tension: 25.5 dyne/cm; (15)Density: 0.852 g/cm3; (16)Flash Point: 11 °C; (17)Enthalpy of Vaporization: 33.18 kJ/mol; (18)Boiling Point: 107.3 °C at 760 mmHg; (19)Vapour Pressure: 31.8 mmHg at 25°C.
Preparation of 2H-Pyran,tetrahydro-3-methyl-: this chemical can be prepared by 2-methyl-pentane-1,5-diol. This reaction will need reagent Amberlyst 15. The reaction temperature is 140 - 160 °C. The yield is about 86.2%.
Uses of 2H-Pyran,tetrahydro-3-methyl-: it can be used to produce 1,5-diiodo-2-methyl-pentane by heating. It will need reagents phenyl dichlorophosphate, sodium iodide with reaction time of 35 hours. The yield is about 84%.
When you are using this chemical, please be cautious about it as the following:
It is highly flammable and may form explosive peroxides. Please keep away from sources of ignition - No smoking. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing and do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O1CCCC(C)C1
(2)InChI: InChI=1/C6H12O/c1-6-3-2-4-7-5-6/h6H,2-5H2,1H3
(3)InChIKey: UJQZTMFRMLEYQN-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C6H12O/c1-6-3-2-4-7-5-6/h6H,2-5H2,1H3
(5)Std. InChIKey: UJQZTMFRMLEYQN-UHFFFAOYSA-N