Online Database of Chemicals from Around the World
| Sigma-Aldrich, Inc. | USA | Inquire | ||
|---|---|---|---|---|
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+86 (21) 6141-5566 / 800-819-3336 | |||
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ordercn@sial.com, | |||
| Chemical manufacturer since 1992 | ||||
| chemBlink standard supplier since 2018 | ||||
| Achemica | Switzerland | Inquire | ||
|---|---|---|---|---|
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+41 (24) 466-2929 | |||
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contact@achemica.com | |||
| Chemical manufacturer since 2010 | ||||
| Alfa Chemistry | USA | Inquire | ||
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+1 (201) 478-8534 | |||
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inquiry@alfa-chemistry.com | |||
| Chemical distributor since 2012 | ||||
| chemBlink standard supplier since 2012 | ||||
| Name | 3-Phenylbutanoic acid |
|---|---|
| Synonyms | (R)-3-Phenylbutyric acid; (S)-3-PHENYLBUTYRIC ACID; 3-Phenylbutanoic acid # |
| Molecular Formula | C10H12O2 |
| Molecular Weight | 164.20 |
| CAS Registry Number | 772-15-6 |
| SMILES | CC(CC(=O)O)C1=CC=CC=C1 |
| InChI | 1S/C10H12O2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12) |
| InChIKey | ZZEWMYILWXCRHZ-UHFFFAOYSA-N |
| Density | 1.1±0.1g/cm3 (Cal.) |
|---|---|
| Melting point | 36-40°C (Expl.) |
| Boiling point | 287.969°C at 760 mmHg (Cal.) |
| 159-161°C (Expl.) | |
| Flash point | 110°C (Expl.) |
| 170.2±13.9°C (Cal.) | |
| Safety Code | S26;S37 Details |
|---|---|
| Risk Code | R36/37/38 Details |
| Hazard Symbol |  X Details |
| Safety Description | IRRITANT |
| IRRITANT | |
| WARNING: Irritates lungs, eyes, skin | |
| SDS | Available |
| Market Analysis Reports |
| List of Reports Available for 3-Phenylbutanoic acid |