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CAS No.: | 72041-59-9 |
---|---|
Name: | 4-TETRAHYDROPYRANOXY-2-HYDROXYBENZALDEHYDE |
Article Data: | 15 |
Molecular Structure: | |
Formula: | C12H14O4 |
Molecular Weight: | 222.241 |
Synonyms: | 4-[(2-Tetrahydropyranyl)oxy]-2-hydroxybenzaldehyde; |
Density: | 1.255 g/cm3 |
Boiling Point: | 382.2 °C at 760 mmHg |
Flash Point: | 148.6 °C |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 55.76000 |
LogP: | 2.11010 |
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This chemical is called Benzaldehyde,2-hydroxy-4-[(tetrahydro-2H-pyran-2-yl)oxy]-, and its systematic name is 2-hydroxy-4-(tetrahydro-2H-pyran-2-yloxy)benzaldehyde. With the molecular formula of C12H14O4, its molecular weight is 222.24. The CAS registry number of this chemical is 72041-59-9. Additionally, its product categories are Pharmacetical.
Other characteristics of the Benzaldehyde,2-hydroxy-4-[(tetrahydro-2H-pyran-2-yl)oxy]- can be summarised as followings: (1)ACD/LogP: 1.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.78; (4)ACD/LogD (pH 7.4): 1.59; (5)ACD/BCF (pH 5.5): 13.22; (6)ACD/BCF (pH 7.4): 8.52; (7)ACD/KOC (pH 5.5): 220.43; (8)ACD/KOC (pH 7.4): 142.12; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 44.76 Å2; (13)Index of Refraction: 1.588; (14)Molar Refractivity: 59.59 cm3; (15)Molar Volume: 177 cm3; (16)Polarizability: 23.62×10-24cm3; (17)Surface Tension: 52.2 dyne/cm; (18)Density: 1.255 g/cm3; (19)Flash Point: 148.6 °C; (20)Enthalpy of Vaporization: 65.52 kJ/mol; (21)Boiling Point: 382.2 °C at 760 mmHg; (22)Vapour Pressure: 2.19E-06 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: O=Cc2ccc(OC1OCCCC1)cc2O
2.InChI: InChI=1/C12H14O4/c13-8-9-4-5-10(7-11(9)14)16-12-3-1-2-6-15-12/h4-5,7-8,12,14H,1-3,6H2
3.InChIKey: NDAHKJIBTIDZIO-UHFFFAOYAV