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| CAS No.: | 7339-87-9 |
|---|---|
| Name: | 2-(4-HYDROXYPHENYL)ACETALDEHYDE |
| Article Data: | 36 |
| Molecular Structure: | |
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| Formula: | C8H8O2 |
| Molecular Weight: | 136.15 |
| Synonyms: | Acetaldehyde,(p-hydroxyphenyl)- (6CI,7CI,8CI);(p-Hydroxyphenyl)acetaldehyde;4-Hydroxyphenylacetaldehyde; |
| Density: | 1.153 g/cm3 |
| Melting Point: | 118℃ |
| Boiling Point: | 281.4 °C at 760 mmHg |
| Flash Point: | 117.9 °C |
| Solubility: | 2.32E+04 mg/L at 25 °C in water |
| Hazard Symbols: |
 Xi
|
| PSA: | 37.30000 |
| LogP: | 1.13360 |
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Specification
This chemical is called Benzeneacetaldehyde,4-hydroxy-, and its systematic name is (4-Hydroxyphenyl)acetaldehyde. With the molecular formula of C8H8O2, its molecular weight is 136.15. The CAS registry number of this chemical is 7339-87-9. Additionally, its product categories are Aromatics Compounds; Aromatics. It's often use as an intermediate in the metabolic pathway in yeast.
Other characteristics of the Benzeneacetaldehyde,4-hydroxy- can be summarised as followings: (1)ACD/LogP: 1.04; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.554; (8)Molar Refractivity: 37.87 cm3; (9)Molar Volume: 117.9 cm3; (10)Polarizability: 15.01×10-24cm3; (11)Surface Tension: 46.2 dyne/cm; (12)Density: 1.153 g/cm3; (13)Flash Point: 117.9 °C; (14)Enthalpy of Vaporization: 54.11 kJ/mol; (15)Boiling Point: 281.4 °C at 760 mmHg; (16)Vapour Pressure: 0.00209 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=CCc1ccc(O)cc1
2.InChI: InChI=1/C8H8O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,6,10H,5H2
3.InChIKey: IPRPPFIAVHPVJH-UHFFFAOYAM