3-PHENYLPROPIONITRILE
- CAS No.
- 645-59-0
- Chemical Name:
- 3-PHENYLPROPIONITRILE
- Synonyms
- NSC 16936;phenethylcyanide;Phenethyl cyanide;Benzylacetonitrile;Phenylpropionitrile;HYDROCINNAMONITRILE;Benzenepropionitrile;2-Phenylethylcyanide;benzenepropanenitrile;(2-Cyanoethyl)benzene
- CBNumber:
- CB1733015
- Molecular Formula:
- C9H9N
- Molecular Weight:
- 131.17
- MDL Number:
- MFCD00001961
- MOL File:
- 645-59-0.mol
- MSDS File:
- SDS
| Product description | Number | Pack Size | Price |
| 3-Phenylpropionitrile 99% | 171573 | 10g | $200 |
| 3-Phenylpropionitrile >98.0%(GC) | P0611 | 25g | $72 |
| 3-Phenylpropionitrile | P336205 | 1g | $120 |
| 3-Phenylpropionitrile 95% | OR919888 | 25g | $167 |
| 3-Phenylpropionitrile | V2247 | 1g | $64 |
| More product size | |||
| Melting point | −2-−1 °C(lit.) |
|---|---|
| Boiling point | 113 °C9 mm Hg(lit.) |
| Density | 1.001 g/mL at 25 °C(lit.) |
| refractive index |
n |
| Flash point | >230 °F |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | 1.68g/l (calculated) |
| form | Liquid |
| color | Clear colorless to light yellow |
| Specific Gravity | 1 |
| Odor | powerful nasturtium |
| BRN | 636348 |
| Exposure limits | NIOSH: IDLH 25 mg/m3 |
| InChI | 1S/C9H9N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7H2 |
| InChIKey | ACRWYXSKEHUQDB-UHFFFAOYSA-N |
| SMILES | N#CCCc1ccccc1 |
| CAS DataBase Reference | 645-59-0(CAS DataBase Reference) |
| EWG's Food Scores | 1 |
| FDA UNII | H2Y1JYN13Q |
| EPA Substance Registry System | Benzenepropanenitrile (645-59-0) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS06 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Danger | |||||||||
| Hazard statements | H301 | |||||||||
| Precautionary statements | P264-P270-P301+P310-P405-P501 | |||||||||
| PPE | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter | |||||||||
| Hazard Codes | T,C | |||||||||
| Risk Statements | 23/24/25-36-34 | |||||||||
| Safety Statements | 36/37/39-45-27-26 | |||||||||
| RIDADR | UN 3276 6.1/PG 3 | |||||||||
| WGK Germany | 3 | |||||||||
| RTECS | MW5604750 | |||||||||
| TSCA | TSCA listed | |||||||||
| HazardClass | 6.1 | |||||||||
| PackingGroup | II | |||||||||
| HS Code | 29269095 | |||||||||
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
|||||||||
| Hazard Classifications | Acute Tox. 3 Oral | |||||||||
| NFPA 704 |
|
3-PHENYLPROPIONITRILE price More Price(16)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 171573 | 3-Phenylpropionitrile 99% | 645-59-0 | 10g | $200 | 2026-03-19 | Buy |
| TCI Chemical | P0611 | 3-Phenylpropionitrile >98.0%(GC) | 645-59-0 | 25g | $72 | 2026-03-19 | Buy |
| TRC | P336205 | 3-Phenylpropionitrile | 645-59-0 | 1g | $120 | 2021-12-16 | Buy |
| Apolloscientific | OR919888 | 3-Phenylpropionitrile 95% | 645-59-0 | 25g | $167 | 2021-12-16 | Buy |
| AK Scientific | V2247 | 3-Phenylpropionitrile | 645-59-0 | 1g | $64 | 2021-12-16 | Buy |
3-PHENYLPROPIONITRILE Chemical Properties,Uses,Production
Chemical Properties
clear colorless to light yellow liquid
Uses
A glucosinolate enzymic hydrolosis product with potential antibacterial activities against plant pathogenic bacteria. 3-Phenylpropionitrile is occasionally used in perfume compositions, mainly as a minor ingredient in artificial flower absolutes, etc. The material can also be used in certain types of exotic or very heavy floral fragrance, e. g. Stephanotis, Pikake, Keora, Ginger Lily, Tiare, Coffee flower, etc. Its warm and piquant, vegetable pungency is utilized in flavor compositions for seasonings, etc. and in various spice blends. Normal use concentration is equivalent to about 1 to 3 ppm in the finished product.
Uses
3-Phenylpropionitrile was used to study the free enzyme activity of nitrilase AtNIT1.
Definition
ChEBI: A nitrile that is propionitrile in which one of the methyl hydrogens has been replaced by a phenyl group.
Preparation
To a stirred solution of 3-phenylpropanamide (50 mg, 0.34 mmol) in acetonitrile (0.8 mL) at room temperature were successively added formic acid (0.2 mL) and paraformaldehyde (50 mg, 1.67 mmol). The reaction mixture was then refluxed for 12 h, and the solution obtained was cooled to room temperature.
Work-up A: The crude mixture was concentrated under reduced pressure, and the residue was subjected to flash chromatography on silica gel (230–240 mesh) eluting with hexane/ethyl acetate (7:3) to yield 3-phenylpropanonitrile (37 mg, 85%).
Work-up B: The reaction mixture was diluted with ethyl acetate (10 mL) and washed successively with saturated sodium hydrogen carbonate solution (5 mL) and water (5 mL). The combined aqueous layers were extracted with ethyl acetate (2 × 10 mL). The combined organic layers were dried over Na2SO4, filtered, and concentrated. The crude 3-phenylpropanonitrile was purified as described above (Work-up A).
Synthesis Reference(s)
Journal of the American Chemical Society, 98, p. 4685, 1976 DOI: 10.1021/ja00431a078
Chemical and Pharmaceutical Bulletin, 10, p. 427, 1962 DOI: 10.1248/cpb.10.427
General Description
The effect of 3-Phenylpropionitrile on the growth and survival of woodlouse Porcellio scaber has been studied.
3-PHENYLPROPIONITRILE Preparation Products And Raw materials
Raw materials
Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Capot Chemical Co.,Ltd. | +86-（0）57185586718; +8613336195806 | sales@capot.com | China | 29640 | 60 |
| Nanjing jinheyou Trading Co., Ltd. | 15705188088 | admin@jheyou.com | CHINA | 1268 | 58 |
| CONIER CHEM AND PHARMA LIMITED | +8618523575427 | sales@conier.com | China | 49977 | 58 |
| Hefei TNJ Chemical Industry Co.,Ltd. | +86-0551-65418671 +8618949823763 | sales@tnjchem.com | China | 34563 | 58 |
| Dayang Chem (Hangzhou) Co.,Ltd. | +86-0571-88938639 +8617705817739 | info@dycnchem.com | China | 52705 | 58 |
| Shaanxi Didu New Materials Co. Ltd | +86-86-17392712779 +8617392712697 | 1022@dideu.com | China | 8401 | 58 |
| GLR Innovations | +91 9891111994 | info@glrgroup.in | India | 4535 | 58 |
| Nanjing Doge Biomedical Technology Co., Ltd | +86-25-58227606 +86-15305155328 | sales@dogechemical.com | China | 4128 | 58 |
| Hebei Chuanghai Biotechnology Co., Ltd | +8615531151365 | mina@chuanghaibio.com | China | 18126 | 58 |
| GIHI CHEMICALS CO.,LIMITED | +86-571-86217390; +8618058761490 | info@gihichemicals.com | China | 49968 | 58 |
View Lastest Price from 3-PHENYLPROPIONITRILE manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2019-11-20 | 3-PHENYLPROPIONITRILE
645-59-0
|
US $0.00 / g | 1g | 95%min | 20kg/month | Nanjing jinheyou Trading Co., Ltd. |
-
- 3-PHENYLPROPIONITRILE
645-59-0
- US $0.00 / g
- 95%min
- Nanjing jinheyou Trading Co., Ltd.
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