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2H-Pyran,2-(3-butyn-1-yloxy)tetrahydro-

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Name

2H-Pyran,2-(3-butyn-1-yloxy)tetrahydro-

EINECS N/A
CAS No. 40365-61-5 Density 0.98 g/cm3
PSA 18.46000 LogP 1.55290
Solubility N/A Melting Point N/A
Formula C9H14O2 Boiling Point 206.6 °C at 760 mmHg
Molecular Weight 154.209 Flash Point 72.8 °C
Transport Information N/A Appearance COLORLESS TO YELLOW LIQUID
Safety 23-26-28-37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 40365-61-5 (2-(3-BUTYNYLOXY)TETRAHYDRO-2 H-PYRAN) Hazard Symbols HarmfulXn
Synonyms

2H-Pyran,2-(3-butynyloxy)tetrahydro- (9CI);Pyran, 2-(3-butynyloxy)tetrahydro- (6CI);1-Tetrahydropyranyloxy-3-butyne;2-(3-Butynyloxy)tetrahydro-2H-pyran;2-(3-Butynyloxy)tetrahydropyran;3-Butyn-1-ol tetrahydropyranyl ether;3-Butyn-1-yl tetrahydropyranyl ether;3-Butynyl tetrahydro-2H-pyran-2-yl ether;4-Tetrahydropyran-2-yloxy-1-butyne;NSC 254948;Tetrahydro-2-(3-butynyloxy)-2H-pyran;

 

2H-Pyran,2-(3-butyn-1-yloxy)tetrahydro- Specification

The CAS register number of 2H-Pyran,2-(3-butyn-1-yloxy)tetrahydro- is 40365-61-5. It also can be called as 3-Butyn-1-ol tetrahydropyranyl ether and the IUPAC name about this chemical is 2-but-3-ynoxyoxane. The molecular formula about this chemical is C9H14O2 and the molecular weight is 154.21. It belongs to the following product categories which include Organoborons; Pyran; Building Blocks; Heterocyclic Building Blocks; Pyrans and so on.

Physical properties about 2H-Pyran,2-(3-butyn-1-yloxy)tetrahydro- 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): 57.77; (7)ACD/KOC (pH 7.4): 57.77; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 18.46 Å2; (11)Index of Refraction: 1.459; (12)Molar Refractivity: 42.93 cm3; (13)Molar Volume: 156.8 cm3; (14)Polarizability: 17.02x10-24cm3; (15)Surface Tension: 34 dyne/cm; (16)Density: 0.98 g/cm3; (17)Flash Point: 72.8 °C; (18)Enthalpy of Vaporization: 42.48 kJ/mol; (19)Boiling Point: 206.6 °C at 760 mmHg; (20)Vapour Pressure: 0.338 mmHg at 25 °C.

Preparation: this chemical can be prepared by 3,4-dihydro-2H-pyran and but-3-yn-1-ol. This reaction will need reagent of camphorsulfonic acid and solvent of CH2Cl2. The yield is about 91%.

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

Uses of 2H-Pyran,2-(3-butyn-1-yloxy)tetrahydro-: it can be used to produce 6-tetrahydropyran-2-yloxy-hex-3-yn-1-ol with oxirane. This reaction needs THF. This reaction will need reagent of EtMgBr. The reaction time is 1 hour with reaction temperature of 40-45 °C.

2H-Pyran,2-(3-butyn-1-yloxy)tetrahydro- can be used to produce 6-tetrahydropyran-2-yloxy-hex-3-yn-1-ol with oxirane.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed and irritating to eyes, respiratory system and skin. It may cause damage to health. If you want to use it, wear suitable gloves and eye/face protection and do not breathe vapour. 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.

You can still convert the following datas into molecular structure:
(1)SMILES: O(CCC#C)C1OCCCC1
(2)InChI: InChI=1/C9H14O2/c1-2-3-7-10-9-6-4-5-8-11-9/h1,9H,3-8H2
(3)InChIKey: ZQZSNKJFOFAJQX-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C9H14O2/c1-2-3-7-10-9-6-4-5-8-11-9/h1,9H,3-8H2
(5)Std. InChIKey: ZQZSNKJFOFAJQX-UHFFFAOYSA-N

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