Benzeneaceticacid,alpha-hydroxy-,(S)-
(S)-(+)-Mandelic acid
CAS: 17199-29-0
Molecular Formula: C8H8O3
Benzeneaceticacid,alpha-hydroxy-,(S)- - Names and Identifiers
| Name | (S)-(+)-Mandelic acid |
| Synonyms | L-mandelate L-mandelic acid (s)-(+)-mandelic (s)-benzeneaceticaci (S)-(+)-Mandelic acid Mandelic acid, S-(+)- (S)-(+)-Mandelic Acid (S)-Hydroxyphenylaceticacid L-(+)-α-Hydroxybenzeneacetic acid Benzeneaceticacid,alpha-hydroxy-,(S)- |
| CAS | 17199-29-0 |
| EINECS | 241-240-8 |
| InChI | InChI=1/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/p-1/t7-/m0/s1 |
Benzeneaceticacid,alpha-hydroxy-,(S)- - Physico-chemical Properties
| Molecular Formula | C8H8O3 | ||
| Molar Mass | 152.15 | ||
| Density | 1.3410 | ||
| Melting Point | 131-134°C(lit.) | ||
| Boling Point | 234.6°C (rough estimate) | ||
| Specific Rotation(α) | 155 º (c=2 , H2O) | ||
| Flash Point | >190°C | ||
| Water Solubility | 100 g/L (25 ºC) | ||
| Solubility | Methanol (Slightly), Water (Sparingly, Heated) | ||
| Vapor Presure | 0.00012mmHg at 25°C | ||
| Appearance | Yellow crystalline powder | ||
| Color | White to beige-brown | ||
| BRN | 2208678 | ||
| pKa | 3.41±0.25(Predicted) | ||
| PH | 2.1 (60g/l, H2O, 20℃) | ||
| Storage Condition | Store below +30°C. | ||
| Stability | Stable, but light sensitive. Combustible. Incompatible with strong bases, strong oxidizing agents, strong reducing agents. | ||
| Sensitive | Light Sensitive | ||
| Refractive Index | 153.5 ° (C=1, H2O) | ||
| MDL | MFCD00004495 | ||
| Physical and Chemical Properties |
| ||
| Use | For the organic synthesis and pharmaceutical industry |
Benzeneaceticacid,alpha-hydroxy-,(S)- - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S22 - Do not breathe dust. S24/25 - Avoid contact with skin and eyes. S37/39 - Wear suitable gloves and eye/face protection S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
| WGK Germany | 3 |
| TSCA | Yes |
| HS Code | 29181980 |
Benzeneaceticacid,alpha-hydroxy-,(S)- - Introduction
Solubility in water: 100g/L(25 ℃). Soluble in alcohol and ether. ee : >98.0%(LC)
Last Update：2022-10-16 17:14:25
Benzeneaceticacid,alpha-hydroxy-,(S)- - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| properties | mandelic acid is white shiny crystalline powder, crystal or flakes; Solubility in water: 100g/L(25 ℃). Soluble in alcohol and ether. Melting point: 134°C, specific rotation: 155 ° (c = 2 , H2O), refractive index: 153.5 ° (C = 1, H2O). |
| application | mandelic acid is mainly used in organic synthesis and pharmaceutical industry, and is mainly used for chiral substance resolution. |
| preparation | mandelic acid is made from acetophenone, a by-product of phenol from cumene. |
| Use | Mainly used in organic synthesis and pharmaceutical industry, mainly used as chiral substance resolution A multi-purpose reagent for racemate resolution and amide preparation |
Last Update：2024-04-09 21:04:16
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