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CAS No.: | 79950-42-8 |
---|---|
Name: | 2-ALLYL-3-HYDROXYBENZALDEHYDE |
Article Data: | 15 |
Molecular Structure: | |
Formula: | C10H10O2 |
Molecular Weight: | 162.188 |
Synonyms: | Benzaldehyde,3-hydroxy-2-(2-propenyl)- (9CI); |
EINECS: | 807-729-0 |
Density: | 1.126 g/cm3 |
Melting Point: | 102-103 °C(Solv: dichloromethane (75-09-2); hexane (110-54-3)) |
Boiling Point: | 274.4 °C at 760 mmHg |
Flash Point: | 114.6 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36 |
Safety: | 26 |
PSA: | 37.30000 |
LogP: | 1.93320 |
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The CAS registry number of Benzaldehyde,3-hydroxy-2-(2-propen-1-yl)- is 79950-42-8. This chemical's molecular formula is C10H10O2 and molecular weight is 162.19. What's more, its systematic name is called 3-Hydroxy-2-prop-2-en-1-ylbenzaldehyde.
Physical properties about Benzaldehyde,3-hydroxy-2-(2-propen-1-yl)- are: (1)ACD/LogP: 2.27; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.27; (4)ACD/LogD (pH 7.4): 2.27; (5)ACD/BCF (pH 5.5): 31.16; (6)ACD/BCF (pH 7.4): 30.95; (7)ACD/KOC (pH 5.5): 408.07; (8)ACD/KOC (pH 7.4): 405.36; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.593; (14)Molar Refractivity: 48.79 cm3; (15)Molar Volume: 143.9 cm3; (16)Polarizability: 19.34×10-24 cm3; (17)Surface Tension: 44.9 dyne/cm; (18)Density: 1.126 g/cm3; (19)Flash Point: 114.6 °C; (20)Enthalpy of Vaporization: 53.34 kJ/mol; (21)Boiling Point: 274.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00323 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc1cccc(O)c1C/C=C
(2) InChI: InChI=1/C10H10O2/c1-2-4-9-8(7-11)5-3-6-10(9)12/h2-3,5-7,12H,1,4H2
(3) InChIKey: QVHRAGBOMUXWRI-UHFFFAOYAV