ChemicalBook >> CAS DataBase List >>3-PHENYLBUTYRIC ACID
3-PHENYLBUTYRIC ACID
- CAS No.
- 4593-90-2
- Chemical Name:
- 3-PHENYLBUTYRIC ACID
- Synonyms
- 3-Phenylbutanoic acid;3-Phenylbutyrsaeure;RARECHEM AL BE 0683;3-PHENYLBUTYRIC ACID;(/-)-3-PHENYLBUTYRIC ACID;(+/-)-3-phenylbutyric acid;BETA-PHENYL-N-BUTYRIC ACID;3-PHENYLBUTYRIC ACID 99%;b-methyl benzenepropanoic acid;Benzenepropanoic acid, b-methyl-
- CBNumber:
- CB4446275
- Molecular Formula:
- C10H12O2
- Molecular Weight:
- 164.2
- MDL Number:
- MFCD00002725
- MOL File:
- 4593-90-2.mol
- MSDS File:
- SDS
- TDS File:
- TDS
Last updated:2026-07-17 09:03:53
| Product description | Number | Pack Size | Price |
| 3-Phenylbutyric acid 98% | 116807 | 5g | $283 |
| 3-Phenylbutyric acid 98% | 116807 | 25g | $382 |
| 3-Phenylbutyric acid | EAA59390 | 25g | $590 |
| 3-Phenylbutyric acid ≥98% | CS-W017905 | 5g | $116 |
| 3-Phenylbutyric acid ≥98% | CS-W017905 | 10g | $223 |
| More product size | |||
| Melting point | 35-38 °C(lit.) |
|---|---|
| Boiling point | 170-172 °C20 mm Hg(lit.) |
| Density | 1.515 g/mL at 25 °C(lit.) |
| refractive index | 1.5160 (estimate) |
| Flash point | 77 °F |
| storage temp. | Store at -20°C |
| pka | 4.67±0.10(Predicted) |
| form | Solid |
| color | White to off-white |
| optical activity | -0.1700°(C=1g/100ml CHCL3) |
| Water Solubility | 9.254g/L(30 ºC) |
| BRN | 2044322 |
| InChI | 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 |
| SMILES | C1(=CC=CC=C1)C(C)CC(=O)O |
| CAS DataBase Reference | 4593-90-2(CAS DataBase Reference) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|---|---|
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| target organs | Respiratory system |
| PPE | Eyeshields, Gloves, type N95 (US) |
| Hazard Codes | Xi,F |
| Risk Statements | 36/37/38-10 |
| Safety Statements | 22-24/25-36-26-16 |
| RIDADR | 1325 |
| WGK Germany | 3 |
| HazardClass | 4.1 |
| PackingGroup | III |
| HS Code | 2916399090 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
3-PHENYLBUTYRIC ACID price More Price(30)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 116807 | 3-Phenylbutyric acid 98% | 4593-90-2 | 5g | $283 | 2026-04-30 | Buy |
| Sigma-Aldrich | 116807 | 3-Phenylbutyric acid 98% | 4593-90-2 | 25g | $382 | 2026-04-30 | Buy |
| Biosynth | EAA59390 | 3-Phenylbutyric acid | 4593-90-2 | 25g | $590 | 2026-06-04 | Buy |
| ChemScene | CS-W017905 | 3-Phenylbutyric acid ≥98% | 4593-90-2 | 5g | $116 | 2026-06-04 | Buy |
| ChemScene | CS-W017905 | 3-Phenylbutyric acid ≥98% | 4593-90-2 | 10g | $223 | 2026-06-04 | Buy |
3-PHENYLBUTYRIC ACID Chemical Properties,Uses,Production
Uses
3-Phenylbutyric acid is used to isolate Rhodococcus rhodochrous PB1 from compost soil.
Definition
ChEBI: 3-phenylbutyric acid is a monocarboxylic acid that is butanoic acid substituted by a phenyl group at position 3. It has a role as an antibacterial agent and a bacterial xenobiotic metabolite. It is a member of benzenes and a monocarboxylic acid. It is functionally related to a 3-phenylpropionic acid.
Synthesis Reference(s)
Tetrahedron Letters, 21, p. 2181, 1980 DOI: 10.1016/S0040-4039(00)78992-1
General Description
3-Phenylbutyric acid is a metabolite of the oxidation of sec-octylbenzene.
3-PHENYLBUTYRIC ACID Preparation Products And Raw materials
Raw materials
Preparation Products
Global( 144)Suppliers
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| ATK CHEMICAL COMPANY LIMITED | +undefined-21-51877795 | ivan@atkchemical.com | China | 32998 | 60 |
| CONIER CHEM AND PHARMA LIMITED | sales@conier.com | China | 49906 | 58 | |
| Antai Fine Chemical Technology Co.,Limited | 18503026267 | info@antaichem.com | CHINA | 9631 | 58 |
| TargetMol Chemicals Inc. | +1-781-999-5354; +1-00000000000 | marketing@targetmol.com | United States | 32431 | 58 |
| Zhejiang J&C Biological Technology Co.,Limited | +1-2135480471 | sales@sarms4muscle.com | China | 10378 | 58 |
| PT CHEM GROUP LIMITED | +86-85511178; +86-85511178 | peter68@ptchemgroup.com | China | 35405 | 58 |
| GIHI CHEMICALS CO.,LIMITED | +86-571-86217390; +8618058761490 | info@gihichemicals.com | China | 49860 | 58 |
| Shanghai Acmec Biochemical Technology Co., Ltd. | +86-18621343501 | product@acmec-e.com | China | 33301 | 58 |
| Aladdin Scientific | tp@aladdinsci.com | United States | 57473 | 58 | |
| Qingdao Dexin Chemical Co., Ltd | +86-15553333686 | 15553333686@qq.com | China | 3113 | 58 |
View Lastest Price from 3-PHENYLBUTYRIC ACID manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2026-07-17 | 3-Phenylbutyric acid
4593-90-2
|
$35.00 | 98.26% | 10g | TargetMol Chemicals Inc. |
-
- 3-Phenylbutyric acid
4593-90-2
- $35.00
- 98.26%
- TargetMol Chemicals Inc.
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CARBOXYLIC ACID
C10
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Carbonyl Compounds
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C10
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Carboxylic Acids
Chemical Synthesis
Organic Building Blocks
Building Blocks
