CAS Number93-54-9
Synonyms1-phenylpropan-1-ol; 1-phenylpropanol; α-ethylbenzyl alcohol; EINECS 202-256-0; Ejibil; Choleda; Fepar; Fenicol; SH261; 1-Phenyl-1-propanol; rac-1-phenyl-1-propanol; Unichol; phenyl propanol; Felicur; Livonal; 1-phenylpropyl alcohol; Bilergon; MFCD00004564
Molecular FormulaC2H5CH(C6H5)OH
Molecular Weight136.19
Purity≥97%
Density1.0±0.1 g/cm3
Boiling Point103 °C/14 mmHg (lit.)
AppearanceTransparent colorless transparent liquid
EINECS202-256-0
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 93-54-9 |
| Catalog No. | 2A-9017812 |
| Chinese Name | 1-苯基-1-丙醇 |
| Synonyms | 1-phenylpropan-1-ol; 1-phenylpropanol; α-ethylbenzyl alcohol; EINECS 202-256-0; Ejibil; Choleda; Fepar; Fenicol; SH261; 1-Phenyl-1-propanol; rac-1-phenyl-1-propanol; Unichol; phenyl propanol; Felicur; Livonal; 1-phenylpropyl alcohol; Bilergon; MFCD00004564 |
| Molecular Formula | C2H5CH(C6H5)OH |
| Molecular Weight | 136.19 |
| Purity | ≥97 |
| Density | 1.0±0.1 g/cm3 |
| Boiling Point | 103 °C/14 mmHg (lit.) |
| Appearance | Transparent colorless transparent liquid |
| Water Solubility | insoluble |
| Storage Condition | This product should be sealed and stored in a cool |
| Application | 1-Phenyl-1-propanol is used in the pharmaceutical industry as a chiral building block and synthetic intermediate. 1-Phenyl-1-propanol is an intermediate of the antidepressant fluoxetine [1][2]. |
| EINECS | 202-256-0 |
| HTC | 2942000000 |
| PubChem ID | 24847022 |
| MDL Number | MFCD00004564 |
| SMILES | CCC(O)c1ccccc1 |
| InChI | 1S/C9H12O/c1-2-9(10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3 |
| InChI Key | DYUQAZSOFZSPHD-UHFFFAOYSA-N |
| Beilstein/REAXYS | 1906759 |
| NACRES Code | NA.22 |
| eCl@ss | 39023126 |
| UNSPSC | 12352100 |
| Hazard Symbols | Transport |
| MSDS | msds/17812_1_93_54_9.pdf |
| Bioactivity | 1-Phenyl-1-propanol is used as a chiral building block and synthetic intermediate in the pharmaceutical industries. 1-Phenyl-1-propanol is an intermediate of anti-depressant drug Fluoxetine[1][2]. Related Catalog Research Areas >> Others Signaling Pathways >> Others >> Others References [1]. Soyer A, et al. Optimization of lipase-catalyzed enantioselective production of 1-phenyl 1-propanol using response surface methodology. Prep Biochem Biotechnol. 2010;40(4):389-404. [2]. Xavier S, et al. NBO, conformational, NLO, HOMO-LUMO, NMR and electronic spectral study on 1-phenyl-1-propanol by quantum computational methods. Spectrochim Acta A Mol Biomol Spectrosc. 2015;137:306-320. Chemical & Physical Properties Density 1.0±0.1 g/cm3 Boiling Point 219.0±8.0 °C at 760 mmHg Molecular Formula C9H12O Molecular Weight 136.191 Flash Point 90.6±0.0 °C Exact Mass 136.088821 PSA 20.23000 LogP 1.91 Vapour Pressure 0.1±0.5 mmHg at 25°C Index of Refraction 1.525 InChIKey DYUQAZSOFZSPHD-UHFFFAOYSA-N SMILES CCC(O)c1ccccc1 Water Solubility insoluble |
| Use of | 1-Phenyl-1-propanol is used as a chiral building block and synthetic intermediate in the pharmaceutical industries. 1-Phenyl-1-propanol is an intermediate of anti-depressant drug Fluoxetine[1][2]. Properties Articles10 Name 1-Phenyl-1-propanol Synonym More Synonyms phenyl propanol Biological Activity Description 1-Phenyl-1-propanol is used as a chiral building block and synthetic intermediate in the pharmaceutical industries. 1-Phenyl-1-propanol is an intermediate of anti-depressant drug Fluoxetine[1][2]. Related Catalog Research Areas >> Others Signaling Pathways >> Others >> Others References [1]. Soyer A, et al. Optimization of lipase-catalyzed enantioselective production of 1-phenyl 1-propanol using response surface methodology. Prep Biochem Biotechnol. 2010;40(4):389-404. [2]. Xavier S, et al. NBO, conformational, NLO, HOMO-LUMO, NMR and electronic spectral study on 1-phenyl-1-propanol by quantum computational methods. Spectrochim Acta A Mol Biomol Spectrosc. 2015;137:306-320. Chemical & Physical Properties Molecular Formula C9H12O Exact Mass 136.088821 PSA 20.23000 Index of Refraction 1.525 InChIKey DYUQAZSOFZSPHD-UHFFFAOYSA-N Water Solubility insoluble |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 5.5% Ordinary tariff: 30.0% |
| Transport Info | Shipping Name: UN |
| 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 United Nations shipping name 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 Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available |
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