Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3-Ethynylanisole |
EINECS | N/A |
CAS No. | 768-70-7 | Density | 1.01 g/cm3 |
PSA | 9.23000 | LogP | 1.67650 |
Solubility | Slightly soluble in water. | Melting Point |
N/A |
Formula | C9H8O | Boiling Point | 204.4 °C at 760 mmHg |
Molecular Weight | 132.162 | Flash Point | 69.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 3/9/49-15-36/37/39-43 | Risk Codes | 10 |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Anisole,m-ethynyl- (6CI,7CI,8CI);1-Ethynyl-3-methoxybenzene;1-Methoxy-3-ethynylbenzene;3-Ethynylanisole;3-Methoxyphenylacetylene;3-Methoxyphenylethyne;m-Anisylacetylene;m-Ethynylanisole;m-Methoxyphenylacetylene;m-Methoxyphenylethyne; |
Article Data | 32 |
The 3-Ethynylanisole with the cas number 768-70-7 is also called Benzene,1-ethynyl-3-methoxy-. Both the systematic name and IUPAC name are 1-ethynyl-3-methoxybenzene. Its molecular formula is C9H8O. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: 2.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.32; (4)ACD/LogD (pH 7.4): 2.32; (5)ACD/BCF (pH 5.5): 33.86; (6)ACD/BCF (pH 7.4): 33.86; (7)ACD/KOC (pH 5.5): 433.07; (8)ACD/KOC (pH 7.4): 433.07; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.53; (14)Molar Refractivity: 40.17 cm3; (15)Molar Volume: 130 cm3; (16)Polarizability: 15.92×10-24cm3; (17)Surface Tension: 37.4 dyne/cm; (18)Enthalpy of Vaporization: 42.26 kJ/mol; (19)Vapour Pressure: 0.377 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: C(#C)c1cc(OC)ccc1
(2)InChI: InChI=1/C9H8O/c1-3-8-5-4-6-9(7-8)10-2/h1,4-7H,2H3
(3)InChIKey: ZASXCTCNZKFDTP-UHFFFAOYAS