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40228-90-8

40228-90-8 Structure

40228-90-8 Structure
IdentificationMore
[Name]

7-PHENYLHEPTANOIC ACID
[CAS]

40228-90-8
[Synonyms]

7-PHENYLHEPTANOIC ACID
RARECHEM AH CK 0155
7-Phenylheptanoicacid,97%
7-Phenylheptanoic acid 95%+
[Molecular Formula]

C13H18O2
[MDL Number]

MFCD00037801
[Molecular Weight]

206.28
[MOL File]

40228-90-8.mol
Chemical PropertiesBack Directory
[Melting point ]

20°C
[Boiling point ]

147-150°C 0,4mm
[density ]

1.009
[refractive index ]

1.5070
[Fp ]

147-150°C/0.4mm
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

solid
[pka]

4.77±0.10(Predicted)
[Water Solubility ]

Insoluble in water.
[BRN ]

1957081
[InChI]

1S/C13H18O2/c14-13(15)11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10H,1-2,4,7-8,11H2,(H,14,15)
[InChIKey]

ZVSXKFNTWOIGJI-UHFFFAOYSA-N
[SMILES]

OC(=O)CCCCCCc1ccccc1
[CAS DataBase Reference]

40228-90-8(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/38:Irritating to eyes and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

WGK 3
[Hazard Note ]

Irritant
[HS Code ]

2916399090
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

7-Phenylheptanoic acid is used in the process to make amino acid derivatives.
[Definition]

ChEBI: 7-phenyl heptanoic acid is a medium-chain fatty acid.
[Synthesis]

Under argon protection, palladium acetate (0.025 mmol,0.0056 g), monophosphine ligand TFPP (0.15 mmol,0.0474 g), 0.5 mL of toluene, 6-phenyl-1-hexene (0.5 mmol,0.0801 g), formic acid (0.75 mmol,0.0345 g) and acetic anhydride (0.1 mmol,0.0102g). The bottle
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

7-Phenylheptanoic acid, 97%(40228-90-8)
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