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| CAS No.: | 95764-76-4 |
|---|---|
| Name: | 6-METHYL-6-HEPTEN-4-YN-3-OL |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C8H12O |
| Molecular Weight: | 124.18 |
| Synonyms: | 6-Methyl-6-hepten-4-yn-3-ol;6-Methylhept-6-en-4-yn-3-ol; |
| Density: | 0.908 g/cm3 |
| Boiling Point: | 184.6 °C at 760 mmHg |
| Flash Point: | 73.5 °C |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 20.23000 |
| LogP: | 1.33680 |
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- Total:2 Page 1 of 1 1
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Specification
The 6-Hepten-4-yn-3-ol,6-methyl-, with the CAS registry number 95764-76-4, is also known as 6-Methylhept-6-en-4-yn-3-ol. This chemical's molecular formula is C8H12O and molecular weight is 124.18. What's more, its IUPAC name is 6-methylhept-6-en-4-yn-3-ol.
Physical properties of 6-Hepten-4-yn-3-ol,6-methyl- are: (1)ACD/LogP: 2.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.6; (4)ACD/BCF (pH 5.5): 55.92; (5)ACD/KOC (pH 5.5): 620.2; (6)#H bond acceptors: 1; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 9.23 Å2; (10)Index of Refraction: 1.47; (11)Molar Refractivity: 38.17 cm3; (12)Molar Volume: 136.6 cm3; (13)Polarizability: 15.13×10-24cm3; (14)Surface Tension: 33.1 dyne/cm; (15)Density: 0.908 g/cm3; (16)Flash Point: 73.5 °C; (17)Enthalpy of Vaporization: 48.98 kJ/mol; (18)Boiling Point: 184.6 °C at 760 mmHg; (19)Vapour Pressure: 0.207 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC(C#CC(=C)C)O
(2)InChI: InChI=1S/C8H12O/c1-4-8(9)6-5-7(2)3/h8-9H,2,4H2,1,3H3
(3)InChIKey: DUDZQARPXNGCOB-UHFFFAOYSA-N