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| CAS No.: | 184901-84-6 |
|---|---|
| Name: | DL-4-HYDROXYMANDELIC ACID MONOHYDRATE |
| Molecular Structure: | |
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|
|
| Formula: | C8H10O5 |
| Molecular Weight: | 186.162 |
| Synonyms: | 4-Hydroxymandelic acid monohydrate; |
| EINECS: | 214-839-7 |
| Density: | 1.48g/cm3 |
| Melting Point: | 82-85 °C(lit.) |
| Boiling Point: | 497.6 °C at 760 mmHg |
| Flash Point: | 254.7 °C |
| Solubility: | Soluble in water. |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 86.99000 |
| LogP: | 0.44590 |
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Specification
The Benzeneacetic acid, a,4-dihydroxy-, hydrate (1:1), with the CAS registry number 184901-84-6, is also known as 4-Hydroxymandelic acid monohydrate. It belongs to the product categories of C8; Carbonyl Compounds; Carboxylic Acids. Its EINECS registry number is 214-839-7. This chemical's molecular formula is C8H10O5 and molecular weight is 186.162. What's more, its IUPAC name is 2-Hydroxy-2-(4-hydroxyphenyl)acetic acid hydrate.
Physical properties about Benzeneacetic acid, a,4-dihydroxy-, hydrate (1:1) are: (1)# of Rule of 5 Violations: 1; (2)#H bond acceptors: 5; (3)#H bond donors: 5; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 86.99 Å2; (6)Flash Point: 254.7 °C; (7)Enthalpy of Vaporization: 80.63 kJ/mol; (8)Boiling Point: 497.6 °C at 760 mmHg; (9)Vapour Pressure: 1.01E-10 mmHg at 25 °C.
When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: OC(c1ccc(O)cc1)C(O)=O.O
(2) InChI: InChI=1/C8H8O4.H2O/c9-6-3-1-5(2-4-6)7(10)8(11)12;/h1-4,7,9-10H,(H,11,12);1H2
(3) InChIKey: ATPBHLAWGXOMOR-UHFFFAOYAU