Cas no 62173-99-3 (L-(+)-Mandelic Acid Benzyl Ester)
L-(+)-Mandelic Acid Benzyl Ester Chemical and Physical Properties
Names and Identifiers
-
- L-(+)-Mandelic Acid Benzyl Ester
- Benzyl L-(+)-Mandelate
- benzyl (2S)-2-hydroxy-2-phenylacetate
- Benzyl (S)-(+)-mandelate
- benzyl L-mandelate
- (S)-benzyl mandelate
- SCHEMBL5117818
- MFCD00274325
- A868539
- D91489
- Benzyl (2S)-hydroxy(phenyl)acetate
- JFKWZVQEMSKSBU-AWEZNQCLSA-N
- M1355
- Benzeneaceticacid,a-hydroxy-,phenylmethyl ester,(as)-
- Benzeneaceticacid, a-hydroxy-, phenylmethyl ester, (aS)-
- Oprea1_804492
- (S)-benzyl 2-hydroxy-2-phenylacetate
- DTXSID601044499
- (S)-mandelic acid, benzyl ester
- CCG-242601
- AKOS015889531
- Benzyl (S)-(+)-mandelate, 99%
- AS-62666
- 62173-99-3
-
- MDL: MFCD00274325
- Inchi: 1S/C15H14O3/c16-14(13-9-5-2-6-10-13)15(17)18-11-12-7-3-1-4-8-12/h1-10,14,16H,11H2/t14-/m0/s1
- InChI Key: JFKWZVQEMSKSBU-AWEZNQCLSA-N
- SMILES: O(C([C@H](C1C=CC=CC=1)O)=O)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 242.09400
- Monoisotopic Mass: 242.094
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 5
- Complexity: 253
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 2.7
- Topological Polar Surface Area: 46.5A^2
Experimental Properties
- Color/Form: Powder
- Density: 1.204
- Melting Point: 105.0 to 109.0 deg-C
- Boiling Point: 386.8 oC at 760 mmHg
- Flash Point: 163 °C
- Refractive Index: 34 ° (C=1, CH3CN)
- PSA: 46.53000
- LogP: 2.46340
- Solubility: Not determined
- Optical Activity: [α]25/D +55°, c =?1 in chloroform
- Vapor Pressure: 0.0±0.9 mmHg at 25°C
L-(+)-Mandelic Acid Benzyl Ester Security Information
- Signal Word:warning
- Hazard Statement: H303 may be harmful by ingestion +h313 may be harmful by skin contact +h1106 may be harmful by inhalation
- Warning Statement: P264+P280+P305+P351+P338+P337+P108
- Hazardous Material transportation number:NONH for all modes of transport
- WGK Germany:3
- Safety Instruction: H303+H313+H110
- Storage Condition:4° CStore…,-4℃Store…Better
L-(+)-Mandelic Acid Benzyl Ester Customs Data
- HS CODE:2918199090
- Customs Data:
China Customs Code:
2918199090Overview:
HS: 2918199090. Other alcohol containing but not other oxy carboxylic acids(Including its anhydride\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
2918199090 other carboxylic acids with alcohol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:6.5%.General tariff:30.0%
L-(+)-Mandelic Acid Benzyl Ester Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | B136435-25g |
L-(+)-Mandelic Acid Benzyl Ester |
62173-99-3 | ≥98.0%(GC) | 25g |
¥464.90 | 2023-09-04 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | B136435-5g |
L-(+)-Mandelic Acid Benzyl Ester |
62173-99-3 | ≥98.0%(GC) | 5g |
¥116.90 | 2023-09-04 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R028006-25g |
L-(+)-Mandelic Acid Benzyl Ester |
62173-99-3 | 98% | 25g |
¥684 | 2024-05-22 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R028006-5g |
L-(+)-Mandelic Acid Benzyl Ester |
62173-99-3 | 98% | 5g |
¥103 | 2024-05-22 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | B864701-5g |
Benzyl L-(+)-Mandelate |
62173-99-3 | ≥98.0%(GC) | 5g |
¥201.60 | 2022-09-29 | |
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | 458295-5G |
L-(+)-Mandelic Acid Benzyl Ester |
62173-99-3 | 99% | 5G |
¥400.03 | 2022-02-24 | |
| TRC | M198123-50mg |
L-(+)-Mandelic Acid Benzyl Ester |
62173-99-3 | 50mg |
$ 50.00 | 2022-06-04 | ||
| TRC | M198123-100mg |
L-(+)-Mandelic Acid Benzyl Ester |
62173-99-3 | 100mg |
$ 65.00 | 2022-06-04 | ||
| TRC | M198123-500mg |
L-(+)-Mandelic Acid Benzyl Ester |
62173-99-3 | 500mg |
$ 80.00 | 2022-06-04 | ||
| YUN NAN XI LI SHENG WU JI SHU GU FEN Co., Ltd. | BBP80910-5mg |
Benzyl L-(+)-mandelate |
62173-99-3 | 98.0% | 5mg |
¥130 | 2021-05-07 |
L-(+)-Mandelic Acid Benzyl Ester Suppliers
L-(+)-Mandelic Acid Benzyl Ester Related Literature
-
Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
Additional information on L-(+)-Mandelic Acid Benzyl Ester
Comprehensive Guide to L-(+)-Mandelic Acid Benzyl Ester (CAS No. 62173-99-3): Properties, Applications, and Market Insights
L-(+)-Mandelic Acid Benzyl Ester (CAS No. 62173-99-3) is a chiral ester derivative of mandelic acid, widely recognized for its applications in pharmaceuticals, fragrances, and organic synthesis. This compound, also known as benzyl (R)-2-hydroxy-2-phenylacetate, has gained significant attention due to its enantiomeric purity and versatile chemical properties. Researchers and industries value this ester for its role as a building block in asymmetric synthesis and as a precursor for bioactive molecules.
The growing demand for optically active compounds in drug development has positioned L-(+)-Mandelic Acid Benzyl Ester as a critical intermediate. Its high enantiomeric excess (>98%) makes it ideal for producing chiral drugs, particularly in the synthesis of antibiotics and anti-inflammatory agents. Recent studies highlight its potential in developing novel cosmetic ingredients, where its mild exfoliating properties align with the trend toward "clean beauty" formulations.
From a chemical perspective, L-(+)-Mandelic Acid Benzyl Ester exhibits excellent solubility in organic solvents like ethanol, methanol, and dichloromethane, while being sparingly soluble in water. This property profile enables its use in various catalytic reactions and esterification processes. The compound's stability under normal storage conditions (recommended at 2-8°C) ensures long shelf life, making it practical for industrial applications.
The fragrance industry extensively utilizes benzyl mandelate (alternative name) as a fixative agent in premium perfumes. Its subtle sweet, floral-woody odor profile enhances scent longevity, addressing the consumer demand for long-lasting perfumes. Perfumers particularly value its compatibility with other aromatic compounds, allowing creative flexibility in fragrance design.
In pharmaceutical research, CAS 62173-99-3 serves as a key chiral synthon for preparing α-hydroxy acid derivatives. These derivatives show promise in dermatological treatments, especially for conditions like hyperpigmentation and photoaging. The compound's mechanism of action involves gentle keratinocyte disruption, promoting skin renewal without irritation—a sought-after feature in modern dermatological formulations.
The global market for L-(+)-Mandelic Acid Benzyl Ester reflects the expanding applications in green chemistry and sustainable synthesis. Manufacturers are developing eco-friendly production methods, including enzymatic esterification, to meet the increasing demand from environmentally conscious buyers. Market analysts project steady growth (CAGR ~5.8%) through 2028, driven by pharmaceutical and cosmetic sector requirements.
Quality control standards for 62173-99-3 typically specify ≥98% purity (HPLC), with strict limits on residual solvents. Advanced analytical techniques like chiral HPLC and NMR spectroscopy ensure batch-to-batch consistency, crucial for research reproducibility. Suppliers often provide comprehensive certificates of analysis detailing enantiomeric ratio, melting point (reported range 34-36°C), and optical rotation data.
Emerging applications include using L-(+)-Mandelic Acid Benzyl Ester as a template for designing metal-organic frameworks (MOFs) with potential gas storage capabilities. Materials science researchers appreciate its rigid phenyl ring and flexible ester group, which facilitate the construction of porous crystalline structures. This interdisciplinary application demonstrates the compound's versatility beyond traditional chemical uses.
For laboratory handling, standard organic chemistry precautions apply when working with benzyl (R)-2-hydroxy-2-phenylacetate. While not classified as hazardous under GHS criteria, proper ventilation and personal protective equipment (lab coat, gloves) are recommended. The compound's low volatility (vapor pressure: 0.01 mmHg at 25°C) minimizes inhalation risks during routine use.
Future research directions may explore biocatalytic production of L-(+)-Mandelic Acid Benzyl Ester using engineered enzymes, aligning with industrial biotechnology trends. The compound's structural features also make it an interesting candidate for developing ionic liquid derivatives with tailored solvent properties. As chiral chemistry advances, this ester will likely find new roles in asymmetric catalysis and materials design.
62173-99-3 (L-(+)-Mandelic Acid Benzyl Ester) Related Products
- 4358-88-7(ethyl mandelate)
- 890-98-2(Benzyl DL-Mandelate)
- 20309-56-2(Benzeneacetic acid, a-hydroxy-, 2-methoxyethyl ester)
- 774-40-3(Ethyl mandelate)
- 97415-09-3(D-(-)-Mandelic Acid Benzyl Ester)
- 10606-72-1(Ethyl (R)-(-)-mandelate)
- 15913-17-4(Benzeneacetic acid, a-hydroxy-4-methyl-, propyl ester)
- 66267-66-1(Benzeneacetic acid, a-hydroxy-, 2-ethoxyethyl ester)
- 79309-63-0(Benzeneacetic acid, a-ethoxy-, ethyl ester)
- 13704-09-1(Ethyl (S)-(+)-mandelate)