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2H-Pyran,tetrahydro-2-(2-propyn-1-yloxy)-

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Name

2H-Pyran,tetrahydro-2-(2-propyn-1-yloxy)-

EINECS 228-028-0
CAS No. 6089-04-9 Density 0.99 g/cm3
PSA 18.46000 LogP 1.16280
Solubility N/A Melting Point N/A
Formula C8H12O2 Boiling Point 187 °C at 760 mmHg
Molecular Weight 140.182 Flash Point 59.4 °C
Transport Information UN 1993 3/PG 3 Appearance Clear colorless to light yellow liquid
Safety 26-27-28-36/37/39 Risk Codes 11
Molecular Structure Molecular Structure of 6089-04-9 (TETRAHYDRO-2-(2-PROPYNYLOXY)-2H-PYRAN) Hazard Symbols IrritantXi
Synonyms

(2-Propynyloxy)tetrahydropyran;1-(2'-Tetrahydropyranyloxy)-2-propyne;1-(Tetrahydro-2H-pyranyloxy)-2-propyne;1-(Tetrahydropyranyloxy)prop-2-yne;1-Tetrahydropyran-2-yloxy-2-propyne;2-(2-Propynyloxy)tetrahydro-2H-pyran;

Article Data 29

2H-Pyran,tetrahydro-2-(2-propyn-1-yloxy)- Specification

The CAS register number of 2H-Pyran,tetrahydro-2-(2-propyn-1-yloxy)- is 6089-04-9. It also can be called as 1-(Tetrahydro-2H-pyranyloxy)-2-propyne and the IUPAC name about this chemical is 2-prop-2-ynoxyoxane. The molecular formula about this chemical is C8H12O2 and the molecular weight is 140.18. It belongs to the following product categories which include API intermediates; Boronic ester; Organoborons; Pyran; Acetylenes; Functionalized Acetylenes; Building Blocks; Heterocyclic Building Blocks; Pyrans; Alphabetic; TA - TE and so on.

Physical properties about 2H-Pyran,tetrahydro-2-(2-propyn-1-yloxy)- are: (1)ACD/LogP: 0.71; (2)ACD/LogD (pH 5.5): 0.71; (3)ACD/LogD (pH 7.4): 0.71; (4)ACD/BCF (pH 5.5): 2.03; (5)ACD/BCF (pH 7.4): 2.03; (6)ACD/KOC (pH 5.5): 57.86; (7)ACD/KOC (pH 7.4): 57.86; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 18.46 Å2; (11)Index of Refraction: 1.458; (12)Molar Refractivity: 38.3 cm3; (13)Molar Volume: 140.3 cm3; (14)Polarizability: 15.18x10-24cm3; (15)Surface Tension: 33.9 dyne/cm; (16)Density: 0.99 g/cm3; (17)Flash Point: 59.4 °C; (18)Enthalpy of Vaporization: 40.59 kJ/mol; (19)Boiling Point: 187 °C at 760 mmHg; (20)Vapour Pressure: 0.886 mmHg at 25 °C.

Preparation: this chemical can be prepared by 3,4-dihydro-2H-pyran and prop-2-yn-1-ol. This reaction will need reagent of p-TSA. The reaction time is 24 hours with reaction temperature of 20 °C. The yield is about 100%.

2H-Pyran,tetrahydro-2-(2-propyn-1-yloxy)- can be prepared by 3,4-dihydro-2H-pyran and prop-2-yn-1-ol.

Uses of 2H-Pyran,tetrahydro-2-(2-propyn-1-yloxy)-: it can be used to produce tridec-2-yn-1-ol with 1-bromo-decane. This reaction will need reagents of n-butyllithium, 4-toluenesulfonic acid monohydrate and solvents of tetrahydrofuran, hexane, hexamethylphosphoric acid, triamide, methanol. This reaction needs two steps and the reaction temperature is 0 - 20 °C. The yield is about 85%.

2H-Pyran,tetrahydro-2-(2-propyn-1-yloxy)- can be used to produce tridec-2-yn-1-ol with 1-bromo-decane.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes and it is slightly hazardous to water. If you want to use it, wear suitable protective clothing, gloves and eye/face protection. If it stains your clothing, immediately take off all contaminated clothing. After contact with skin, wash immediately with plenty of soap-suds. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. It is not permitted undiluted product or large quantities to reach ground water, water course or sewage system. If no official permission, do not put materials into the permission surroundings. It is stable under normal temperature and pressure. If you want to store it, you should keep the container tightly sealed in dry, cool places.

You can still convert the following datas into molecular structure:
(1)SMILES: C(#C)COC1OCCCC1
(2)InChI: InChI=1/C8H12O2/c1-2-6-9-8-5-3-4-7-10-8/h1,8H,3-7H2
(3)InChIKey: HQAXHIGPGBPPFU-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C8H12O2/c1-2-6-9-8-5-3-4-7-10-8/h1,8H,3-7H2
(5)Std. InChIKey: HQAXHIGPGBPPFU-UHFFFAOYSA-N

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