CAS Number136-60-7
SynonymsAnthrapole AZ; 4-butyl benzoate; EINECS 205-252-7; MFCD00009439; Benzoic acid n-butyl ester; Butyl benzoate; Benzoic acid butyl ester; 1-butyl benzoate; Dai Cari XBN; butyl p-benzoate; Benzoic acid, butyl ester
Molecular FormulaC6H5COOCH2CH2CH2CH3
Molecular Weight178.23
Purity99%
Density1.0±0.1 g/cm3
Boiling Point249 °C (lit.)
Melting Point-22 °C
Appearancecolorless viscous liquid
EINECS205-252-7
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 136-60-7 |
| Catalog No. | 2A-9013894 |
| Chinese Name | 苯甲酸丁酯 |
| Synonyms | Anthrapole AZ; 4-butyl benzoate; EINECS 205-252-7; MFCD00009439; Benzoic acid n-butyl ester; Butyl benzoate; Benzoic acid butyl ester; 1-butyl benzoate; Dai Cari XBN; butyl p-benzoate; Benzoic acid, butyl ester |
| Molecular Formula | C6H5COOCH2CH2CH2CH3 |
| Molecular Weight | 178.23 |
| Purity | 99 |
| Density | 1.0±0.1 g/cm3 |
| Boiling Point | 249 °C (lit.) |
| Melting Point | -22 °C |
| Appearance | colorless viscous liquid |
| Storage Condition | Pay attention to fire sources and store in a cool |
| EINECS | 205-252-7 |
| HTC | 29163100 |
| PubChem ID | 24857649 |
| MDL Number | MFCD00009439 |
| SMILES | CCCCOC(=O)c1ccccc1 |
| InChI | 1S/C11H14O2/c1-2-3-9-13-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3 |
| InChI Key | XSIFPSYPOVKYCO-UHFFFAOYSA-N |
| Beilstein/REAXYS | 1867073 |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| MSDS | msds/13894_1_136_60_7.pdf |
| Use of | Butyl benzoate as involatile solvent, for sampling of isocyanates with silica gel solid phase extraction. Butyl benzoate has been used as preservative in commercial cosmetic lotions. 3-(tert-Butyl)-4-hydroxyphenyl 2,4-dichlorobenzoate (1) was discovered as a moderate FXR antagonist. To improve the potency and the stability of the hit 1, forty derivatives were synthesized and SAR was systematically explored. The results turn out that replacing the 2,4-dichlorophenyl with 2,6-dichloro-4-amidophenyl shows great improvement in potency, replacing the benzoate with benzamide shows improvement in stability and slight declining of potency and 3-(tert-butyl)-4-hydroxyphenyl unit is essential in obtaining the FXR antagonistic activity. Properties Name Butyl benzoate Synonym More Synonyms Chemical & Physical Properties Molecular Formula C11H14O2 Exact Mass 178.099380 PSA 26.30000 Index of Refraction 1.499 InChIKey XSIFPSYPOVKYCO-UHFFFAOYSA-N |
| Tax Rebate | 9.0% |
| Supervision | none |
| Transport Info | Product name: Chemical name |
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