Furoin

HCID 11100

Notes Reactions

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Basic information

CAS: 552-86-3
Standard SMILES: O=C(c1ccco1)C(O)c1ccco1
InChIKey: MIJRFWVFNKQQDK-UHFFFAOYSA-N
Molecular formula: C10H8O4
Average molar mass: 192.17 g/mol
Monoisotopic mass: 192.04225873

Names & identifiers

Preferred name: Furoin
IUPAC: 1,2-bis(furan-2-yl)-2-hydroxyethanone
English name: 2,2'-Furoin
Molecular formula: C10H8O4
Molecular weight: 192.17

Names & synonyms

FUROIN552-86-32,2'-FuroinEthanone, 1,2-di-2-furanyl-2-hydroxy-Furoylfurylcarbinolalpha-Furoin.alpha.-FuroinEthanone, 1,2-di-2-furyl-2-hydroxy-EINECS 209-024-81,2-Di-2-furanyl-2-hydroxyethanoneHSDB 2115UNII-FP41RNB020

Show more names

1,2-di(furan-2-yl)-2-hydroxyethan-1-oneFuroin>a,a-FuroinFuroin,98%Furoin 98%alpha-furoi

1,2-Di(2-furyl)-2-hydroxyethanoneNSC 18522Ketone, 2-furyl alpha-hydroxyfurfurylBRN 0383995FP41RNB020Ketone, 2-furyl .alpha.-hydroxyfurfurylAI3-02545FUROIN [HSDB]

Database identifiers

CAS: 552-86-3
PubChem CID: 11100
DTXSID: DTXSID60862181
ChEMBL: CHEMBL364893
UNII: FP41RNB020
EC Number: 209-024-8
Nikkaji: J6.723G

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 63.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 216

Experimental & physicochemical properties

Color/FormNEEDLES FROM ALCOHOL

SolubilitySLIGHTLY SOL IN HOT WATER, ALCOHOL; SOL IN ETHER, METHANOL, HOT ALCOHOL

Melting Point138-39 °C

Vapor Pressure0.0000249 [mmHg]

Physical DescriptionSolid; [HSDB] Brown powder; [MSDSonline]

Kovats Retention Index1449

Physicochemical properties

Melting point: 134 · 134-137 °C(lit.)
Boiling point: 248.14 °C · 248.14°C (rough estimate)
Density: 1.0825 · 1.0825 (rough estimate)
refractive index: 1.444 · 1.4440 (estimate)
storage temp.: Sealed in dry,Room Temperature
solubility: 0.25 g/10 · acetone: soluble0.25g/10 mL, clear, colorless to deep brown-yellow
form: powder to crystal
pka: 11.62 · 11.62±0.20(Predicted)
color: White to Light yellow to Light orange
BRN: 383995 · 383995
InChI: InChI=1S/C10H8O4/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6,9,11H
InChIKey: MIJRFWVFNKQQDK-UHFFFAOYSA-N
SMILES: C(=O)(C1=CC=CO1)C(C1=CC=CO1)O
CAS DataBase Reference: 552 · 552-86-3(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 41 RNB020 · FP41RNB020
NIST Chemistry Reference: 1 · Ethanone, 1,2-di-2-furanyl-2-hydroxy-(552-86-3)
EPA Substance Registry System: 1 · Ethanone, 1,2-di-2-furanyl-2-hydroxy- (552-86-3)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
PPE: 95 · Eyeshields, Gloves, type N95 (US)
WGK Germany: 3 · 3
RTECS: 5774095 · KM5774095
TSCA: TSCA listed
HS Code: 29329990 · 29329990
Storage Class: 11 · 11 - Combustible Solids
Hazardous Substances Data: 552 · 552-86-3(Hazardous Substances Data)

Safety & regulation

Hazard information

Hazards SummaryMay cause irritation; [MSDSonline]

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
tsca: TSCA listed
rtecs: KM5774095
hs_code: 29329990
Signal word: Warning
Symbol(GHS): GHS07
Storage Class: 11 - Combustible Solids
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338
Hazardous Substances Data: 552-86-3(Hazardous Substances Data)

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationEthanone, 1,2-di-2-furanyl-2-hydroxy-: INACTIVE

Applications

UsesFuroin was used as fluorogenic reagent for the selective and sensitive liquid chromatographic determination of various guanidines.

Preparation methods · 1 item

Preparation2,2'-Furoin is prepared by the condensation of furfural with benzoin under the catalysis of potassium cyanide. 8L of water, 3L of ethanol, and 4kg of furfural were heated to 60-70°C on a water bath, and a solution of 200g potassium cyanide dissolved in 600Chemicalbookml of water was slowly added under stirring. The reaction exotherm automatically heated up to 80-90 ° C, and crystals were precipitated later. After standing, filter, wash the crystals with water and methanol until the washing is colorless, and recrystallize with ethanol, which is the finished product of bran coupler.