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| CAS No.: | 1606-79-7 |
|---|---|
| Name: | 5-Oxa-2-octyne-1,7-diol |
| Molecular Structure: | |
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| Formula: | C7H12O3 |
| Molecular Weight: | 144.17 |
| Synonyms: | 2-Hydroxypropyl4-hydroxy-2-butynyl ether;Butynediol propoxylate (BMP);4-(2-hydroxypropoxy)but-2-yn-1-ol;2-Butyn-1-ol, 4-(2-hydroxypropoxy)-; |
| EINECS: | 216-522-9 |
| Density: | 1.116 g/cm3 |
| Boiling Point: | 285.2 °C at 760 mmHg |
| Flash Point: | 126.3 °C |
| PSA: | 49.69000 |
| LogP: | -0.62050 |
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Specification
The 2-Butyn-1-ol,4-(2-hydroxypropoxy)-, with the CAS registry number 1606-79-7 and EINECS registry number 216-522-9, has the systematic name of 4-(2-hydroxypropoxy)but-2-yn-1-ol. And the molecular formula of this chemical is C7H12O3. It is a kind of organics, and should be stored in the dry and cool environment.
The physical properties of 2-Butyn-1-ol,4-(2-hydroxypropoxy)- are as following: (1)ACD/LogP: -0.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.47; (4)ACD/LogD (pH 7.4): -0.47; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 13.22; (8)ACD/KOC (pH 7.4): 13.22; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.488; (14)Molar Refractivity: 37.25 cm3; (15)Molar Volume: 129.1 cm3; (16)Polarizability: 14.77×10-24cm3; (17)Surface Tension: 47.6 dyne/cm; (18)Density: 1.116 g/cm3; (19)Flash Point: 126.3 °C; (20)Enthalpy of Vaporization: 60.84 kJ/mol; (21)Boiling Point: 285.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000325 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OCC#CCOCC(O)C
(2)InChI: InChI=1/C7H12O3/c1-7(9)6-10-5-3-2-4-8/h7-9H,4-6H2,1H3
(3)InChIKey: GFDLMAQAFYECMB-UHFFFAOYAK