Cas no 76-89-1 (Methyl benzilate)
Methyl benzilate (C15H14O3) is an ester derived from benzilic acid, commonly utilized as an intermediate in organic synthesis and pharmaceutical manufacturing. Its key advantages include its role as a versatile building block for the preparation of fine chemicals, particularly in the synthesis of anticholinergic and antihistaminic compounds. The compound exhibits good stability under standard conditions, facilitating handling and storage. Its ester functionality allows for further chemical modifications, making it valuable in research and industrial applications. Methyl benzilate is also noted for its relatively high purity and consistent performance in synthetic processes, ensuring reliable results in complex reaction schemes.
Methyl benzilate structure
Product Name:Methyl benzilate
CAS No:76-89-1
MF:C15H14O3
MW:242.269864559174
MDL:MFCD00004446
CID:34064
PubChem ID:66159
Update Time:2025-05-28
Methyl benzilate Chemical and Physical Properties
Names and Identifiers
-
- Methyl 2-hydroxy-2,2-diphenylacetate
- Methyl benzilate
- 2-Hydroxy-2,2-diphenylacetic acid methyl ester
- methylbenzilate
- Methyl diphenylglycolate
- Benzilic Acid Methyl Ester
- Benzilic acid, methyl ester
- Benzeneacetic acid, .alpha.-hydroxy-.alpha.-phenyl-, methyl ester
- 692D4TH3BM
- LJFIHTFNTGQZJL-UHFFFAOYSA-N
- hydroxy-diphenyl-acetic acid methyl ester
- methyl 2-hydroxy-2,2-di(phenyl)acetate
- Methyl benzillate
- Diphenylglycolic Acid Methyl Ester
- Methyl benzilate, 99%
- EC 2
- UNII-692D4TH3BM
- Methyl hydroxy(diphenyl)acetate #
- EINECS 200-991-1
- AS-44371
- W-109269
- NSC-624
- MFCD00004446
- Benzeneacetic acid, alpha-hydroxy-alpha-phenyl-, methyl ester
- AKOS000295904
- NSC57672
- Methyl .alpha.-hydroxydiphenylacetate
- NSC-57672
- ETHYL6-TERT-BUTYL-2-METHYLNICOTINATE
- .alpha.-Hydroxydiphenylacetic acid, methyl ester
- B1323
- InChI=1/C15H14O3/c1-18-14(16)15(17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,17H,1H3
- SCHEMBL1870824
- NSC624
- NSC 57672
- DTXSID5058804
- 76-89-1
- LJFIHTFNTGQZJL-UHFFFAOYSA-
- Methyl hydroxy(diphenyl)acetate
- STL061091
- Methyl hydroxydiphenylacetate
- Methyl .alpha.-phenylmandelate
- EC 200-991-1
- FT-0622675
- Methyl-2-hydroxy-2,2-diphenyl-acetate
- NS00006580
- A11605
-
- MDL： MFCD00004446
- Inchi： 1S/C15H14O3/c1-18-14(16)15(17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,17H,1H3
- InChI Key： LJFIHTFNTGQZJL-UHFFFAOYSA-N
- SMILES： OC(C(=O)OC)(C1C=CC=CC=1)C1C=CC=CC=1
- BRN： 2121492
Computed Properties
- Exact Mass: 242.09400
- Monoisotopic Mass: 242.094294
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 258
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 46.5
- Surface Charge: 0
- Tautomer Count: nothing
Experimental Properties
- Color/Form: White crystals
- Density: 1.1515 (rough estimate)
- Melting Point: 73-76 oC
- Boiling Point: 187 oC (13 mmHg)
- Flash Point: 187°C/13mm
- Refractive Index: 1.5570 (estimate)
- Water Partition Coefficient: Soluble in methanol. Insoluble in water.
- PSA: 46.53000
- LogP: 2.09550
- Merck: 14,1080
- Solubility: Soluble in ethanol \ ether, insoluble in water
Methyl benzilate Security Information
- Hazard Category Code： R22: harmful if swallowed.
- Safety Instruction： S22; S24/25
-
Hazardous Material Identification：
- TSCA：Yes
- Storage Condition：Store in tightly closed containers. Store in a cool, dry, well ventilated area away from incompatible substances.
- Risk Phrases：R22
Methyl benzilate Customs Data
- HS CODE：2918199010
- Customs Data：
China Customs Code:
2918199010Overview:
2918199010. Methyl diphenyl alcohol [including its anhydride,Acyl halide,Peroxides and peroxyacids and their derivatives]. VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:23(Import licenses for dual-use items and technologies,Export licenses for dual-use items and technologies). Minimum tariff:6.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Regulatory conditions:
2.Import licenses for dual-use items and technologies
3.Export licenses for dual-use items and technologiesSummary:
2918199010. VAT:17.0%. Tax rebate rate:9.0%. Supervision conditions:23(import license for dual-use item and technologies,export license for dual-use item and technologies). MFN tariff:6.5%. General tariff:30.0%
Methyl benzilate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | M289750-100mg |
Methyl Benzilate |
76-89-1 | 100mg |
$ 115.00 | 2023-09-07 | ||
| TRC | M289750-1g |
Methyl Benzilate |
76-89-1 | 1g |
$ 150.00 | 2023-09-07 | ||
| TRC | M289750-5g |
Methyl Benzilate |
76-89-1 | 5g |
$ 184.00 | 2023-09-07 | ||
| TRC | M289750-25g |
Methyl Benzilate |
76-89-1 | 25g |
$339.00 | 2023-05-18 | ||
| abcr | AB113052-50 g |
Methyl benzilate, 98%; . |
76-89-1 | 98% | 50g |
€52.30 | 2023-01-31 | |
| abcr | AB113052-250 g |
Methyl benzilate, 98%; . |
76-89-1 | 98% | 250g |
€100.30 | 2023-01-31 | |
| A FA AI SHA ， SAI MO FEI SHI ER KE JI QI XIA GONG SI | A15907-50g |
Methyl benzilate, 98% |
76-89-1 | 98% | 50g |
￥138.00 | 2023-03-15 | |
| A FA AI SHA ， SAI MO FEI SHI ER KE JI QI XIA GONG SI | A15907-250g |
Methyl benzilate, 98% |
76-89-1 | 98% | 250g |
￥549.00 | 2023-03-15 | |
| A FA AI SHA ， SAI MO FEI SHI ER KE JI QI XIA GONG SI | A15907-1000g |
Methyl benzilate, 98% |
76-89-1 | 98% | 1000g |
￥1970.00 | 2023-03-15 | |
| abcr | AB113052-50g |
Methyl benzilate, 98%; . |
76-89-1 | 98% | 50g |
€53.20 | 2025-02-17 |
Methyl benzilate Related Literature
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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