Molecular Structure of 3-Ethynylphenol (CAS NO.10401-11-3):
IUPAC Name: 3-Ethynylphenol
Canonical SMILES: C#CC1=CC(=CC=C1)O
InChI: InChI=1S/C8H6O/c1-2-7-4-3-5-8(9)6-7/h1,3-6,9H
InChIKey: AODMJIOEGCBUQL-UHFFFAOYSA-N
Molecular Weight: 118.13264 [g/mol]
Molecular Formula: C8H6O
XLogP3: 1.8
H-Bond Donor: 1
H-Bond Acceptor: 1
Index of Refraction: 1.589
Molar Refractivity: 35.34 cm3
Molar Volume: 104.7 cm3
Surface Tension: 49.8 dyne/cm
Density: 1.12 g/cm3
Flash Point: 106.1 °C
Enthalpy of Vaporization: 48.65 kJ/mol
Boiling Point: 230.9 °C at 760 mmHg
Vapour Pressure: 0.0424 mmHg at 25 °C
Appearance: Clear yellow liquid
safety information of 3-ethynylphenol (cas no.10401-11-3):
hazard codes: xn
risk statements: 22-41-52/53
r22:harmful if swallowed.
r41:risk of serious damage to the eyes.
r52/53:harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
safety statements: 26-37/39
s26: in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
s37/39:wear suitable gloves and eye/face protection.
ridadr: 2810
wgk germany: 2
3-Ethynylphenol (CAS NO.10401-11-3), its Synonyms are 3-Hydroxyphenylacetylene ; Phenol, 3-ethynyl- (9CI) ; m-Hydroxyphenylacetylene ; m-Ethynylphenol ; Phenol, 3-ethynyl- .