318035

(S)-(−)-α-Methoxy-α-(trifluoromethyl)phenylacetic acid

≥99%

• Synonym(s): (−)-MTPA, Mosher’s acid
• Linear Formula: C₆H₅C(OCH₃)(CF₃)CO₂H
• CAS Number: 17257-71-5
• Molecular Weight: 234.17
• Beilstein: 4684048
• EC Number: 241-292-1
• MDL number: MFCD00064200
• UNSPSC Code: 12352112
• PubChem Substance ID: 24859111
• NACRES: NA.22

Properties

• Assay: ≥99%
• optical activity: [α]18/D −72°, c = 1.6 in methanol
• optical purity: ee: 99% (GLC)
• refractive index: n20/D 1.474 (lit.)
• bp: 95-97 °C/0.05 mmHg (lit.)
• mp: 46-49 °C (lit.)
• density: 1.303 g/mL at 25 °C (lit.)
• functional group: carboxylic acid; ether; fluoro; phenyl
• storage temp.: 2-8°C
• SMILES string: CO[C@](C(O)=O)(c1ccccc1)C(F)(F)F
• InChI: 1S/C10H9F3O3/c1-16-9(8(14)15,10(11,12)13)7-5-3-2-4-6-7/h2-6H,1H3,(H,14,15)/t9-/m0/s1
• InChI key: JJYKJUXBWFATTE-VIFPVBQESA-N

Description

General description

(S)-(-)-α-Methoxy-α-(trifluoromethyl)phenylacetic acid is commonly used as a derivatizing agent in Mosher ester analysis and Mosher amide analysis, which are NMR-based methods for determining the absolute configuration of the chiral carbon center in secondary alcohols and amines, respectively.

Packaging

Bottomless glass bottle. Contents are inside inserted fused cone.

Other Notes

doi:10.1038/nprot.2007.354

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H315,H319,H335
• Precautionary Statements: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): 235.4 °F - closed cup
• Flash Point(C): 113 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves