Cas no 607-81-8 (Diethyl benzylmalonate)
Diethyl benzylmalonate (CAS 607-81-8) is a diester compound derived from malonic acid, featuring a benzyl group at the central carbon. This clear, colorless to pale yellow liquid is widely used as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and fine chemicals. Its structure allows for efficient alkylation and condensation reactions, making it valuable for constructing complex molecules. Diethyl benzylmalonate exhibits good solubility in common organic solvents and offers stability under standard handling conditions. Its reactivity and functional group compatibility make it a preferred choice for multistep synthetic routes, including the synthesis of barbiturates and other heterocyclic compounds.
Diethyl benzylmalonate structure
Product Name:Diethyl benzylmalonate
CAS No:607-81-8
MF:C14H18O4
MW:250.290324687958
MDL:MFCD00009166
CID:38774
PubChem ID:69090
Update Time:2025-06-08
Diethyl benzylmalonate Chemical and Physical Properties
Names and Identifiers
-
- Diethyl benzylmalonate
- Benzylmalonic acid diethyl ester
- diethyl 2-benzylpropanedioate
- (Phenylmethyl)-propanedioic acid diethyl ester
- Diethyl 2-benzylmalonate
- Propanedioic acid, (phenylmethyl)-, diethyl ester
- Malonic acid, benzyl-, diethyl ester
- Malonic acid, 2-benzyl-, diethyl ester
- diethyl benzyl malonate
- diethyl benzylpropanedioate
- 40Y0X0XN6P
- ICZLTZWATFXDLP-UHFFFAOYSA-N
- diethyl (phenylmethyl)propanedioate
- 1,3-diethyl 2-benzylpropanedioate
- NSC631631
- Propaned
- NS00044136
- A24548
- 2-benzylmalonic acid diethyl ester
- SCHEMBL165382
- (phenylmethyl)-propanedioicacidiethylester;Diethyl 2-benzylmalonate
- NSC-8720
- MFCD00009166
- 1,1-BIS(ETHOXYCARBONYL)-2-PHENYLETHANE
- (PHENYLMETHYL)PROPANEDIOIC ACID DIETHYL ESTER
- benzyl-propanedioic acid diethyl ester
- 607-81-8
- Diethyl benzylmalonate, 98%
- DS-14643
- AKOS000120927
- B0423
- EINECS 210-142-7
- UNII-40Y0X0XN6P
- NSC41169
- Q-101294
- CS-W020389
- NSC-631631
- Diethyl 2-benzylmalonate #
- DTXSID4022078
- F0001-1589
- Propanedioic acid, 2-(phenylmethyl)-, 1,3-diethyl ester
- SY049260
- EN300-20770
- NSC-41169
- Q27258358
- 2-benzyl-malonic acid diethyl ester
- NSC 8720
- AM20040831
- AI3-01359
- FT-0622854
- NSC 41169
- O11719
- NSC8720
- STL264259
- Benzylmalonic acid diethyl ester;(Phenylmethyl)propanedioic acid diethyl ester;1,1-Bis(ethoxycarbonyl)-2-phenylethane
- DTXCID502078
- 210-142-7
- FD21789
-
- MDL： MFCD00009166
- Inchi： 1S/C14H18O4/c1-3-17-13(15)12(14(16)18-4-2)10-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3
- InChI Key： ICZLTZWATFXDLP-UHFFFAOYSA-N
- SMILES： O(CC)C(C(C(=O)OCC)CC1C=CC=CC=1)=O
- BRN： 615793
Computed Properties
- Exact Mass: 250.12100
- Monoisotopic Mass: 250.121
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 8
- Complexity: 251
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 2.8
- Topological Polar Surface Area: 52.6
Experimental Properties
- Color/Form: Not available
- Density: 1.064?g/mL?at 25?°C(lit.)
- Melting Point: 164 - 166oC
- Boiling Point: 300°C(lit.)
- Flash Point: Degrees Fahrenheit:235.4°F
Degrees Celsius:113°C - Refractive Index: n20/D 1.486(lit.)
- Water Partition Coefficient: Insoluble
- PSA: 52.60000
- LogP: 1.97150
- Solubility: Not available
- Vapor Pressure: 0.0±0.6 mmHg at 25°C
Diethyl benzylmalonate Security Information
- Signal Word：warning
- Hazard Statement： H302-H315-H319-H335
- Warning Statement： P264+P280+P305+P351+P338+P337+P313
- Hazardous Material transportation number：NONH for all modes of transport
- WGK Germany：3
- Hazard Category Code： 36/37/38
- Safety Instruction： S24/25
-
Hazardous Material Identification：
- TSCA：Yes
- Storage Condition：Keep container closed when not in use Store in tightly closed containers Store in a cool \ dry \ well ventilated area, away from incompatible substances
- Risk Phrases：R36/37/38
- Safety Term：S24/25
Diethyl benzylmalonate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | 135542-25G |
Diethyl benzylmalonate |
607-81-8 | 98% | 25G |
￥286.59 | 2022-02-24 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | D808303-500g |
Diethyl benzylmalonate |
607-81-8 | 98% | 500g |
927.00 | 2021-05-17 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R011198-100g |
Diethyl benzylmalonate |
607-81-8 | 98% | 100g |
￥137 | 2024-05-22 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R011198-25g |
Diethyl benzylmalonate |
607-81-8 | 98% | 25g |
￥36 | 2024-05-22 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R011198-500g |
Diethyl benzylmalonate |
607-81-8 | 98% | 500g |
￥645 | 2024-05-22 | |
| TRC | D443780-5g |
Diethyl Benzylmalonate |
607-81-8 | 5g |
$ 58.00 | 2023-09-07 | ||
| TRC | D443780-10g |
Diethyl Benzylmalonate |
607-81-8 | 10g |
$ 64.00 | 2023-09-07 | ||
| TRC | D443780-25g |
Diethyl Benzylmalonate |
607-81-8 | 25g |
$ 75.00 | 2023-09-07 | ||
| TRC | D443780-50g |
Diethyl Benzylmalonate |
607-81-8 | 50g |
$98.00 | 2023-05-18 | ||
| TRC | D443780-100g |
Diethyl Benzylmalonate |
607-81-8 | 100g |
$161.00 | 2023-05-18 |
Diethyl benzylmalonate Suppliers
Amadis Chemical Company Limited
Gold Member
Audited Supplier
(CAS:607-81-8)Diethyl benzylmalonate
Order Number:A24548
Stock Status:in Stock
Quantity:1kg
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 16:02
Price ($):175.0
Email:[email protected]
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier
(CAS:607-81-8)芐基丙烯二酸二乙酯
Order Number:LE25837412
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:49
Price ($):discuss personally
Email:[email protected]
Diethyl benzylmalonate Related Literature
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Jun-Zhang Li,Shi-Ming Fan,Xuan-Fei Sun,Shouxin Liu RSC Adv. 2016 6 1865
-
Hui Tian,Hisashi Shimakoshi,Gyurim Park,Sinheui Kim,Youngmin You,Yoshio Hisaeda Dalton Trans. 2018 47 675
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Hisashi Shimakoshi,Makoto Abiru,Shin-ichiro Izumi,Yoshio Hisaeda Chem. Commun. 2009 6427
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Quan-Qing Zhao,Julia Rehbein,Oliver Reiser Green Chem. 2022 24 2772
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Samuel L. Bader,Michael U. Luescher,Karl Gademann Org. Biomol. Chem. 2015 13 199
607-81-8 (Diethyl benzylmalonate) Related Products
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