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935-13-7

935-13-7 Structure

935-13-7 Structure
IdentificationMore
[Name]

3-(2-FURYL)PROPANOIC ACID
[CAS]

935-13-7
[Synonyms]

2-FURANPROPANOIC ACID
2-FURANPROPIONIC ACID
3-(2-FURYL)PROPANOIC ACID
3-(2-FURYL)PROPIONIC ACID
3-FURAN-2-YL-PROPIONIC ACID
AKOS AU36-M219
TIMTEC-BB SBB005449
furan-2-propionic acid
3-Fur-2-ylpropanoic acid
3-(2-FURYL)PROPANOIC ACID 98%
3-(2-FURYL)PROPOINIC ACID
3-(2-furyl)propinoic acid
3-(2-Furyl)propanoic acid, GC 98%
2-Furanpropanoic acid, 2-Furanpropionic acid
[EINECS(EC#)]

213-298-4
[Molecular Formula]

C7H8O3
[MDL Number]

MFCD00005346
[Molecular Weight]

140.14
[MOL File]

935-13-7.mol
Chemical PropertiesBack Directory
[Appearance]

almost white to brown crystalline powder
[Melting point ]

56-59 °C
[Boiling point ]

229
[density ]

1.2127 (rough estimate)
[refractive index ]

1.4638 (estimate)
[storage temp. ]

Refrigerator (+4°C)
[form ]

Crystalline Powder
[pka]

4.51±0.10(Predicted)
[color ]

Almost white to brown
[InChI]

InChI=1S/C7H8O3/c8-7(9)4-3-6-2-1-5-10-6/h1-2,5H,3-4H2,(H,8,9)
[InChIKey]

XLTJXJJMUFDQEZ-UHFFFAOYSA-N
[SMILES]

O1C=CC=C1CCC(O)=O
[CAS DataBase Reference]

935-13-7(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R41:Risk of serious damage to eyes.
R37/38:Irritating to respiratory system and skin .
[Safety Statements ]

S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S39:Wear eye/face protection .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[HS Code ]

29321900
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium hydroxide-->Ethyl acetate-->Diethyl ether-->Tetrahydrofuran-->Petroleum ether-->Magnesium sulfate-->Sodium chloride-->Ammonium chloride-->Sodium hydride-->Isopropyl alcohol-->Furfural-->Lithium hydroxide-->Raney nickel-->Triethyl phosphonoacetate
[Preparation Products]

Ethyl 3-(2-furyl)propionate-->3-[5-(4-Fluoro-phenyl)-furan-2-yl]-propionic acid
Hazard InformationBack Directory
[Description]

3-(2-Furyl)propionic acid is a metabolite of furfural that can be found in the urine at physiological levels.
[Chemical Properties]

almost white to brown crystalline powder
[Uses]

3-(2-Furyl)propionic acid can be used as an indicator for monitoring membrane integrity, as it will react with hippuric acid to form 3-(3-hydroxypropyl)furan-2-carboxylic acid, which can then be quantified using high performance liquid chromatography.
[Synthesis]

3-(2-Furyl)propionic acid is formed by the reaction of furfural with acetyl CoA.
Spectrum DetailBack Directory
[Spectrum Detail]

3-(2-FURYL)PROPANOIC ACID(935-13-7)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-(2-Furyl)propanoic acid, 98%(935-13-7)
[Alfa Aesar]

3-(2-Furyl)propionic acid, 97%(935-13-7)
[Sigma Aldrich]

935-13-7(sigmaaldrich)
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