| Identification | More | [Name]
5-Phenylvaleric acid | [CAS]
2270-20-4 | [Synonyms]
5-PHENYLPENTANOIC ACID
5-PHENYLVALERIC ACID
DELTA-PHENYLVALERIC ACID
RARECHEM AH CK 0159
5-phenyl-valericaci
benzenepentanoicacid
Benzenepentanoic-acid-
gamma-phenylvalericacid
Phenylpentanoic acid
phenylpentanoicacid
Phenylvaleric acid
Valeric acid, 5-phenyl-
5-Phenylvalerianic acid
5-Phenylvaleric acid ,99%
Benzenevaleric acid | [EINECS(EC#)]
218-872-8 | [Molecular Formula]
C11H14O2 | [MDL Number]
MFCD00004416 | [Molecular Weight]
178.23 | [MOL File]
2270-20-4.mol |
| Chemical Properties | Back Directory | [Appearance]
white to off-white crystals or crystalline powder | [Melting point ]
58-60 °C (lit.) | [Boiling point ]
177-178 °C/13 mmHg (lit.) | [density ]
1.0292 (rough estimate) | [refractive index ]
1.4920 (estimate) | [Fp ]
176-178°C/12mm | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
powder to crystal | [pka]
pKa 4.59 ± 0.02(H2O,t =25±0.5,I=0.015(KCl)) (Uncertain) | [color ]
White to Almost white | [Water Solubility ]
1.777g/L(30 ºC) | [BRN ]
2049062 | [InChI]
InChI=1S/C11H14O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,12,13) | [InChIKey]
BYHDDXPKOZIZRV-UHFFFAOYSA-N | [SMILES]
C1(CCCCC(O)=O)=CC=CC=C1 | [CAS DataBase Reference]
2270-20-4(CAS DataBase Reference) | [NIST Chemistry Reference]
5-Phenylvaleric acid(2270-20-4) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Safety Statements ]
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes . | [WGK Germany ]
3
| [RTECS ]
YV7816000
| [Hazard Note ]
Irritant | [HS Code ]
29163900 | [Storage Class]
11 - Combustible Solids |
| Hazard Information | Back Directory | [Chemical Properties]
white to off-white crystals or crystalline powder | [Uses]
5-phenylvaleric acid is used as organic intermediates. | [Definition]
ChEBI: A monocarboxylic acid that is valeric acid substituted by a phenyl group at the delta-position. | [Synthesis Reference(s)]
Tetrahedron, 48, p. 9531, 1992 DOI: 10.1016/S0040-4020(01)88320-4 | [in vivo]
There are individual differences in the production of 5-Phenylvaleric acid, which is influenced by factors such as the gut microbiota and diet[1]. | [IC 50]
Microbial Metabolite; Human Endogenous Metabolite |
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