ChemicalBook--->CAS DataBase List--->539-47-9

539-47-9

539-47-9 Structure

539-47-9 Structure
IdentificationMore
[Name]

Furylacrylic acid
[CAS]

539-47-9
[Synonyms]

2-FURALACETIC ACID
2-FURANACRYLIC ACID
2-PROPENOIC ACID, 3-(2-FURANYL)-
3-(2-furyl)-2-propenoic acid
3-(2-FURYL)ACRYLIC ACID
3-(FURAN-2-YL)ACRYLIC ACID
AKOS AU36-M220
AKOS BBS-00003729
BETA-(2-FURYL)-ACRYLIC ACID
B-FURYLACRYLIC ACID
FURACRYLIC ACID
FURAN-2-ACRYLIC ACID
FURURYLIDENE ACETIC ACID
FURYLACRYLIC ACID
O-FURFURYLIDENEACETIC ACID
RARECHEM BK HC S198
TIMTEC-BB SBB004189
(2E)-3-(2-Furyl)-2-propenoic acid
(2-Furyl)acrylic acid
3-(2-Furanyl)-2-propenoic acid
[EINECS(EC#)]

208-718-8
[Molecular Formula]

C7H6O3
[MDL Number]

MFCD00003257
[Molecular Weight]

138.12
[MOL File]

539-47-9.mol
Chemical PropertiesBack Directory
[Appearance]

white to light yellow crystal powde
[Melting point ]

139-141 °C (lit.)
[Boiling point ]

286 °C (lit.)
[density ]

1.2667 (rough estimate)
[refractive index ]

1.4600 (estimate)
[Fp ]

286°C
[storage temp. ]

Store below +30°C.
[solubility ]

Soluble in dichloromethane and diethyl ether.
[form ]

Solid
[pka]

4.39±0.10(Predicted)
[color ]

Pale Beige
[Water Solubility ]

2g/L(20 ºC)
[Merck ]

14,4297
[BRN ]

81046
[Stability:]

Light Sensitive
[InChI]

1S/C7H6O3/c8-7(9)4-3-6-2-1-5-10-6/h1-5H,(H,8,9)/b4-3+
[InChIKey]

ZCJLOOJRNPHKAV-ONEGZZNKSA-N
[SMILES]

OC(=O)\C=C\c1ccco1
[LogP]

1.204 (est)
[Uses]

Derivatives used in perfumes.
[CAS DataBase Reference]

539-47-9(CAS DataBase Reference)
[NIST Chemistry Reference]

2-Propenoic acid, 3-(2-furanyl)-(539-47-9)
[EPA Substance Registry System]

539-47-9(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H335-H315-H319
[Precautionary statements ]

P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[RTECS ]

LT8560000
[Hazard Note ]

Irritant
[TSCA ]

Yes
[HazardClass ]

IRRITANT
[HS Code ]

29321900
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Malonic acid-->Acrolein
[Preparation Products]

3-(5-Nitro-2-furyl)acrylic acid-->4,4-Difluorocyclohexanone-->D-2-Furylalanine-->3-Ethynyl-2-hydroxy-phenol-->4,5-Dihydro-4-oxofuro[3,2-c]pyridine-->Ethyl 3-(2-furyl)propionate-->Fa-Phe-OMe-->1,5-Benzothiazepin-4(5H)-one, 2-(2-furanyl)-2,3-dihydro--->Furo[3,2-c]pyridine-2-carboxaldehyde,4-chloro-
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-(2-Furyl)-2-propenoic acid(539-47-9).msds
Hazard InformationBack Directory
[Chemical Properties]

white to light yellow crystal powde
[Synthesis Reference(s)]

Journal of the American Chemical Society, 78, p. 3425, 1956 DOI: 10.1021/ja01595a044
Organic Syntheses, Coll. Vol. 3, p. 426, 1955
[Purification Methods]

Crystallise the cis-isomer from *C6H6 and the trans-isomer from H2O, *C6H6 or pet ether (b 80-100o)(charcoal). [Beilstein 18 H 301, 18 III/IV 4143, 18/6 V 306.]
Spectrum DetailBack Directory
[Spectrum Detail]

3-(2-Furyl)acrylic acid(539-47-9)MS
3-(2-Furyl)acrylic acid(539-47-9)1HNMR
3-(2-Furyl)acrylic acid(539-47-9)13CNMR
3-(2-Furyl)acrylic acid(539-47-9)IR1
3-(2-Furyl)acrylic acid(539-47-9)IR2
3-(2-Furyl)acrylic acid(539-47-9)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Furylacrylic acid, 99%(539-47-9)
[Alfa Aesar]

3-(2-Furyl)acrylic acid, 99%(539-47-9)
[Sigma Aldrich]

539-47-9(sigmaaldrich)
[TCI AMERICA]

3-(2-Furyl)acrylic Acid,>98.0%(GC)(T)(539-47-9)
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