CAS 15687-27-1

Benzeneacetic acid, α-methyl-4-(2-methylpropyl)-

Description:

Benzeneacetic acid, α-methyl-4-(2-methylpropyl)-, also known by its CAS number 15687-27-1, is an aromatic carboxylic acid characterized by a benzene ring substituted with an acetic acid group and an α-methyl group, along with a branched alkyl chain (2-methylpropyl) at the para position. This compound typically exhibits a white to off-white crystalline solid form and is soluble in organic solvents like ethanol and ether, but has limited solubility in water due to its hydrophobic aromatic structure. The presence of the carboxylic acid functional group imparts acidic properties, allowing it to participate in various chemical reactions, including esterification and amidation. Its structure suggests potential applications in pharmaceuticals, agrochemicals, and as a building block in organic synthesis. Additionally, the branched alkyl chain may influence its biological activity and interaction with other molecules, making it of interest in medicinal chemistry and material science. Safety data should be consulted for handling and storage, as with all chemical substances.

Formula: C₁₃H₁₈O₂

InChI: InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)

InChI key: InChIKey=HEFNNWSXXWATRW-UHFFFAOYSA-N

SMILES: C(C(O)=O)(C)C1=CC=C(CC(C)C)C=C1

Synonyms:

• (.+-.)-Ibuprofen
• (.+-.)-Ibuprophen
• (RS)-Ibuprofen
• Actiprofen
• Adran
• Advil
• Alaxan
• Algi-Flanderil
• Algiflex
• Algofen
• Amibufen
• Anafen
• Anco
• Andran
• Anflagen
• Antarene
• Antiflam
• Apo-Ibuprofen
• Apsifen
• Artofen
• Artril
• Balkaprofen
• Betaprofen
• Bloom
• Bluton
• Bonifen
• Boosten
• Brofen
• Brufanic
• Brufen
• Bruflam
• Brufort
• Brustan-N
• Buburone
• Buluofen
• Buprol
• Burana
• Butacortelone
• Butylenin
• Caldolor
• Carol
• Cobo
• Combiflam
• Dansida
• Dentigoa
• Dibufen
• Diverin
• Dolgin
• Dolgirid
• Dolgit
• Dolmaral
• Dolo-Dolgit
• Dolocyl
• Dolofen
• Dolomax
• Doretrim
• Dorival
• Drin
• Easifon
• Ebufac
• Emflam
• Emodin
• Epobron
• Espen
• Femadon
• Fenbid
• Fenspan
• Focus
• Genafen
• Gofen
• Gynofug
• Haltran
• Ibosure
• Ibren
• Ibu-Attritin
• Ibu-Tab
• Ibu-slow
• IbuHexal
• Ibubel
• Ibuberofen
• Ibudex
• Ibufen
• Ibuflam
• Ibuflamar
• Ibuflamol
• Ibufug
• Ibugen
• Ibugesic
• Ibuleve
• Ibulgan
• Ibumetin
• Ibupirac
• Ibupril
• Ibuprocin
• Ibuprofene
• Ibuprofeno
• Ibuprohm
• Ibusal
• Ibutad
• Ifen
• Inabrin
• Inflam
• Inza
• Ipren
• Iprogel
• Irfen
• Isodol
• Juilifen
• Lamidon
• Librofem
• Lidifen
• Liptan
• Lopane
• Medprofen
• Mensoton
• Moment
• MomentAct
• Motrin
• Multifen
• Mynosedin
• Nagifen-D
• Napacetin
• Nobafon
• Nobfelon
• Nobgen
• Noritis
• Norton
• Novogent
• Novoprofen
• Nuprin
• Nureflex
• Nurofen
• Omafen
• Optifen
• Opturem
• Ostarin
• Ostofen
• Paduden
• Panafen
• Pantrop
• Paucofen
• Paxofen
• Pedea
• Pediaprofen
• Pedifen
• Perofen
• Proartinal
• Profen
• Proflex
• Prontalgin
• Proris
• Provil
• Provon
• Quadrax
• Rafen
• Ranofen
• Recidol
• Relcofen
• Roidenin
• Rufin
• Rupan
• Seclodin
• Stelar
• Suspren
• Syntofene
• Tabalon
• Tarein
• Tatanal
• Tofen
• Trendar
• Unipron
• Upfen
• Uprofen
• Urem
• Zafen
• Zofen
• dl-Ibuprofen
• ALPHA-METHYL-4-[2-METHYLPROPYL]BENZENEACETIC ACID
• Hydratropic acid, p-isobutyl-
• 2-(4-isobutylphenyl)-propionic acid
• (+/-)-ALPHA-METHYL-4-(2-METHYLPROPYL)-BENZENEACETIC ACID
• (+/-)-2-(4-ISOBUTYLPHENYL)-PROPIONIC ACID
• 4-ISOBUTYL-ALPHA-METHYLPHENYLACETIC ACID
• MOTRIN(TM)
• p-Isobutylhydratropic acid
• RARECHEM AL BO 0989
• (2R)-2-[4-(2-methylpropyl)phenyl]propanoate
• (2S)-2-[4-(2-methylpropyl)phenyl]propanoate
• (±)-2-(4-Isobutylphenyl)propanoic acid
• p-isobutylhydratropic acid
• alpha-methyl-4-(2-methylpropyl)benzeneacetic acid
• AKOS NCG1-0060
• 2-[4-(2-methylpropyl)phenyl]propanoic acid
• 2-(4-ISOBUTYLPHENYL)PROPIONIC ACID
• α-Methyl-4-(2-methylpropyl)benzeneacetic acid

Ibuprofen

CAS: 15687-27-1

Formula: C₁₃H₁₈O₂

Purity: >98.0%(GC)(T)

Color and Shape: White to Almost white powder to crystal

Molecular weight: 206.29

Ref: 3B-I0415

4-Isobutyl-α-methylphenylacetic acid, 99%

CAS: 15687-27-1

Ibuprofen is useful as a nonsteroidal anti-inflammatory research chemical. Ibuprofen is reported to inhibit the netrophil-dependent edema response of rabbit skin to C5a/PGE23. NSAID that inhibits cyclooxygenase-1 and -2. This Thermo Scientific Chemicals brand product was originally part of the Alfa

Formula: C₁₃H₁₈O₂

Purity: 99%

Color and Shape: White, Crystals or powder or crystalline powder

Molecular weight: 206.29

Ref: 02-B20989

Ibuprofen 1.0 mg/ml in Methanol

CAS: 15687-27-1

Color and Shape: Single Solution

Ref: 61-AMP0002.00-01

Ibuprofen

CAS: 15687-27-1

Color and Shape: Neat

Ref: 61-FOR0002.00

Ibuprofen

CAS: 15687-27-1

Color and Shape: Neat

Ref: LP-IBP-1734-10

Ibuprofen, 1mg/ml in Methanol

CAS: 15687-27-1

Color and Shape: Single Solution

Ref: LP-IBP-1734-1LM

IBUPROFEN CRS

CAS: 15687-27-1

IBUPROFEN CRS

Ref: 41-I0020000

Ibuprofen

CAS: 15687-27-1

Ibuprofen

Formula: H₁₈O₂

Purity: 99.8%

Color and Shape: Clear

Molecular weight: 50.13068

Ref: 47-539

IBUPROFEN FOR PEAK IDENTIFICATION CRS

CAS: 15687-27-1

IBUPROFEN FOR PEAK IDENTIFICATION CRS

Formula: C₁₃H₁₈O₂

Molecular weight: 206.2808

Ref: 41-Y0000881

IBUPROFEN RS

CAS: 15687-27-1

IBUPROFEN RS

Formula: C₁₃H₁₈O₂

Molecular weight: 206.2808

Ref: 41-ICRS0328

IBUPROFEN IMPURITY B CRS

CAS: 15687-27-1

IBUPROFEN IMPURITY B CRS

Ref: 41-B1220000

Ibuprofen

CAS: 15687-27-1

Aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacid and their derivatives not elsewhere specified or included

Formula: C₁₃H₁₈O₂

Color and Shape: White Off-White Crystalline Powder

Molecular weight: 206.28 g/mol

Ref: 45-1335508

Ibuprofen

CAS: 15687-27-1

Ibuprofen, an NSAID, reduces pain, inflammation, and fever by limiting prostaglandin production.

Formula: C₁₃H₁₈O₂

Purity: 99.7% - 99.81%

Color and Shape: Colorless Solid Crystalline

Molecular weight: 206.28

Ref: TM-T1394

Ibuprofen

CAS: 15687-27-1

Formula: C₁₃H₁₈O₂

Purity: 97%

Color and Shape: Solid

Molecular weight: 206.2808

Ref: IN-DA003LL0

Ibuprofen

CAS: 15687-27-1

Ibuprofen

Purity: ≥98%

Molecular weight: 206.28g/mol

Ref: 54-BUP18350

Ibuprofen, EP grade

CAS: 15687-27-1

Formula: C₁₃H₁₈O₂

Color and Shape: White crystalline powder

Molecular weight: 206.29

Ref: 7W-GP9034

Ibuprofen

CAS: 15687-27-1

Formula: C₁₃H₁₈O₂

Purity: 98.0 - 102.0 % (dried basis)

Color and Shape: White to almost white powder

Molecular weight: 206.29

Ref: 7W-GP1763

(+/-)-Ibuprofen-d4 (propionic-2,3,3,3-d4)

CAS: 15687-27-1

Purity: 98 atom % D

Molecular weight: 210.30

Ref: 3U-D8035

Ibuprofen

Controlled Product

CAS: 15687-27-1

Formula: C₁₃H₁₈O₂

Color and Shape: Neat

Molecular weight: 206.28

Ref: 86-MM0002.00

Pharmaceuticals Mixture 327 200 µg/mL in Methanol

Controlled Product

CAS: 15687-27-1, 22204-53-1, 25812-30-0, 3380-34-5

Color and Shape: Mixture

Ref: 04-A50000327ME

2-(4-Isobutylphenyl)propanoic acid

CAS: 15687-27-1

Formula: C₁₃H₁₈O₂

Purity: 99.00%

Color and Shape: Crystalline,Powder

Molecular weight: 206.285

Ref: 10-F078863

Ibuprofen

CAS: 15687-27-1

Formula: C₁₃H₁₈O₂

Color and Shape: Neat

Molecular weight: 206.28

Ref: 04-C14278000

Ibuprofen

CAS: 15687-27-1

Formula: C₁₃H₁₈O₂

Molecular weight: 206.29

Ref: 4Z-I-0495

rac Ibuprofen (1 mg/mL in Methanol)

Controlled Product

CAS: 15687-27-1

Formula: C₁₃H₁₈O₂

Color and Shape: Colourless

Molecular weight: 206.28

Ref: TR-KIT2585

rac Ibuprofen

Controlled Product

CAS: 15687-27-1

Applications A selective cyclooxygenase inhibitor (IC50=14.9uM). Inhibits PGH synthase-1 and PGH synthase-2 with comparable potency. Ibuprofen has has been shown to reduce Ebola infection in rodents (4).This compound is a contaminant of emerging concern (CECs).
References Busson, M., et al.: J. Int. Med Res., 14, 53 (1986); Meade, E.A., et al.: J. Biol. Chem., 268, 6610 (1993); Davies, N.M., et al.: Clin. Pharmacokinet., 34, 101 (1998); (4) Chem. and Eng. News p9, July 4 (2016);

Formula: C₁₃H₁₈O₂

Color and Shape: Neat

Molecular weight: 206.28

Ref: TR-I140000

Ibuprofen

CAS: 15687-27-1

Ibuprofen is a nonsteroidal anti-inflammatory drug (NSAID) used for the treatment of pain, fever and inflammation. Ibuprofen is an inhibitor of cyclooxygenase 1 (COX-1), which blocks the production of prostaglandins that cause pain and inflammation. Ibuprofen has been shown to inhibit the growth of bacteria in cell culture by inhibiting protein synthesis. This drug also has a toxic effect on respiratory system cells, which may be due to its ability to induce apoptosis. Ibuprofen has been shown to inhibit the production of tumour necrosis factor-α (TNF-α) and serum enzymes, such as dismutase activity, in mice with lung cancer.

Formula: C₁₃H₁₈O₂

Purity: Min. 98 Area-%

Color and Shape: White Powder

Molecular weight: 206.28 g/mol

Ref: 3D-FI15848

Ibuprofen - Bio-X ™

CAS: 15687-27-1

Ibuprofen is a non-steroidal anti-inflammatory drug (NSAID) used to reduce inflammation, relieve pain and reduce fever. The mechanism of action of ibuprofen has not been fully elucidated, but it may be due to inhibiting the enzyme cyclooxygenase and thus decreasing the synthesis of prostaglandins allowing a reduction of pain and inflammation.

Formula: C₁₃H₁₈O₂

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 206.28 g/mol

Ref: 3D-BI166241

rac-Ibuprofen-13C3

Controlled Product

CAS: 15687-27-1

Formula: C₃C₁₀H₁₈O₂

Color and Shape: Neat

Molecular weight: 209.259

Ref: TR-I140001