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| CAS No.: | 55-10-7 |
|---|---|
| Name: | 4-Hydroxy-3-methoxymandelic acid |
| Molecular Structure: | |
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| Formula: | C9H10O5 |
| Molecular Weight: | 198.175 |
| Synonyms: | Mandelicacid, 4-hydroxy-3-methoxy- (8CI);(4-Hydroxy-3-methoxyphenyl)glycolic acid;(?à)-3-Methoxy-4-hydroxymandelic acid;(?à)-4-Hydroxy-3-methoxymandelicacid;(?à)-Vanilmandelic acid;3-Methoxy-4-hydroxyphenylhydroxyacetic acid;4-Hydroxy-3-methoxy-DL-mandelicacid;4-Hydroxy-3-methoxymandelic acid;4'-Hydroxy-3'-methoxymandelic acid;DL-3-Methoxy-4-hydroxymandelic acid;DL-Vanillomandelic acid;DL-Vanillylmandelic acid;HMMA;VMA;Vanillinmandelicacid;Vanillomandelic acid;Vanillylmandelic acid;Vanilmandelic acid;dl-4-Hydroxy-3-methoxymandelic acid (dl-vanillylmandelic acid);dl-Vanillomandelicacid; |
| EINECS: | 200-224-0 |
| Density: | 1.44 g/cm3 |
| Melting Point: | 132-134 °C (dec.)(lit.) |
| Boiling Point: | 421.3 °C at 760 mmHg |
| Flash Point: | 173.7 °C |
| Solubility: | freely soluble in water |
| Appearance: | Off-White Solid |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36-37/39 |
| PSA: | 86.99000 |
| LogP: | 0.51880 |
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Specification
The CAS register number of 4-Hydroxy-3-methoxymandelic acid is 55-10-7. It also can be called as DL-4-Hydroxy-3-methoxymandelic acid and the IUPAC name about this chemical is 2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid. The molecular formula about this chemical is C9H10O5 and the molecular weight is 198.17. It belongs to the following product categories, such as Aromatics Compounds; Aromatics and so on.
Physical properties about 4-Hydroxy-3-methoxymandelic acid are: (1)ACD/LogP: -0.11; (2)ACD/LogD (pH 5.5): -2.64; (3)ACD/LogD (pH 7.4): -3.78; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 53.99Å2; (12)Index of Refraction: 1.606; (13)Molar Refractivity: 47.46 cm3; (14)Molar Volume: 137.5 cm3; (15)Polarizability: 18.81x10-24cm3; (16)Surface Tension: 66.4 dyne/cm; (17)Enthalpy of Vaporization: 71.2 kJ/mol; (18)Boiling Point: 421.3 °C at 760 mmHg; (19)Vapour Pressure: 7.5E-08 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. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact 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=C(O)C(O)c1cc(OC)c(O)cc1
(2)InChI: InChI=1/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13)
(3)InChIKey: CGQCWMIAEPEHNQ-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13)
(5)Std. InChIKey: CGQCWMIAEPEHNQ-UHFFFAOYSA-N