CAS Number133-08-4
SynonymsEthyl butylmalonate; Butylmalonic acid diethyl ester; MFCD00009170; diethyl 2-butylpropanedioate; Diethyl n-butylmalonate; EINECS 205-089-1; Diethyl butylmalonate; n-Butylmalonic acid diethyl ester; Propanedioic acid, 2-butyl-, diethyl ester
Molecular FormulaCH3(CH2)3CH(CO2C2H5)2
Molecular Weight216.27
Purity99%
Density1.0±0.1 g/cm3
Boiling Point235-240 °C (lit.)
Melting Point119ºC
Appearanceclear liquid
EINECS205-089-1
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 133-08-4 |
| Catalog No. | 2A-9007571 |
| Chinese Name | 正丁基丙二酸二乙酯 |
| Synonyms | Ethyl butylmalonate; Butylmalonic acid diethyl ester; MFCD00009170; diethyl 2-butylpropanedioate; Diethyl n-butylmalonate; EINECS 205-089-1; Diethyl butylmalonate; n-Butylmalonic acid diethyl ester; Propanedioic acid, 2-butyl-, diethyl ester |
| Molecular Formula | CH3(CH2)3CH(CO2C2H5)2 |
| Molecular Weight | 216.27 |
| Purity | 99 |
| Density | 1.0±0.1 g/cm3 |
| Boiling Point | 235-240 °C (lit.) |
| Melting Point | 119ºC |
| Appearance | clear liquid |
| Storage Condition | This product is packed in iron drum, specification |
| Application | Diethyl butylmalonate showed toxicity to T. pyriformis with log(IGC50-1) of 0.557. |
| EINECS | 205-089-1 |
| HTC | 2917190090 |
| PubChem ID | 24847059 |
| MDL Number | MFCD00009170 |
| SMILES | CCCCC(C(=O)OCC)C(=O)OCC |
| InChI | 1S/C11H20O4/c1-4-7-8-9(10(12)14-5-2)11(13)15-6-3/h9H,4-8H2,1-3H3 |
| InChI Key | RPNFNBGRHCUORR-UHFFFAOYSA-N |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| Hazard Symbols | Transport |
| Safety Description | S24/25 |
| MSDS | msds/7571_1_133_08_4.pdf |
| Bioactivity | Diethyl butylmalonate exhibits toxicity to T. pyriformis, with a log(IGC50-1) of 0.557[1]. Related Catalog Research Areas >> Infection Signaling Pathways >> Anti-infection >> Bacterial References [1]. T I Netzeva, et al. Partial least squares modelling of the acute toxicity of aliphatic compounds to Tetrahymena pyriformis. SAR QSAR Environ Res. 2003 Aug;14(4):265-83. Chemical & Physical Properties Density 1.0±0.1 g/cm3 Boiling Point 237.5±0.0 °C at 760 mmHg Melting Point 119ºC Molecular Formula C11H20O4 Molecular Weight 216.274 Flash Point 93.9±0.0 °C Exact Mass 216.136154 PSA 52.60000 LogP 2.64 Vapour Pressure 0.0±0.4 mmHg at 25°C Index of Refraction 1.433 InChIKey RPNFNBGRHCUORR-UHFFFAOYSA-N SMILES CCCCC(C(=O)OCC)C(=O)OCC |
| Use of | Diethyl butylmalonate exhibits toxicity to T. pyriformis, with a log(IGC50-1) of 0.557[1]. Properties Name Diethyl butylmalonate Synonym More Synonyms Diethyl 2-butylmalonate Biological Activity Description Diethyl butylmalonate exhibits toxicity to T. pyriformis, with a log(IGC50-1) of 0.557[1]. Related Catalog Research Areas >> Infection Signaling Pathways >> Anti-infection >> Bacterial References [1]. T I Netzeva, et al. Partial least squares modelling of the acute toxicity of aliphatic compounds to Tetrahymena pyriformis. SAR QSAR Environ Res. 2003 Aug;14(4):265-83. Chemical & Physical Properties Molecular Formula C11H20O4 Exact Mass 216.136154 PSA 52.60000 Index of Refraction 1.433 InChIKey RPNFNBGRHCUORR-UHFFFAOYSA-N SMILES CCCCC(C(=O)OCC)C(=O)OCC |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 6.5% Ordinary tariff: 30.0% |
| Transport Info | Product name: Purity: 0.0% |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special reminder to users No data available |
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