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Ethyl 2-furanacrylate

HCID 95368
NotesReactions

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Basic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
53282-12-5
Standard SMILES
CCOC(=O)C=Cc1ccco1
InChIKey
MWZBTMXISMOMAE-UHFFFAOYSA-N
Molecular formula
C9H10O3
Average molar mass
166.17 g/mol
Monoisotopic mass
166.06299418

Names & identifiers

Preferred name
Ethyl 2-furanacrylate
IUPAC
ethyl 3-(furan-2-yl)prop-2-enoate
English name
2-Propenoic acid, 3-(2-furanyl)-, ethyl ester, (2E)-
Molecular formula
C9H10O3
Molecular weight
166.17

Names & synonyms

ethyl 3-(2-furyl) acrylateEthyl 2-furanacrylateTimTec1_005630ethyl 3-(2-furanyl)acrylateSCHEMBL1641559DTXSID10201405MWZBTMXISMOMAE-UHFFFAOYSA-Nethyl 3-(2-furyl)prop-2-enoateethyl (E)-3-(2-furyl) acrylateAAA62320AKOS017265308SB61223
Show more names
Ethyl-2E-3-2-furylacrylate(E)-ETHYL 3-(2-FURYL)ACRYLATEEthyl (e)-3-(furan-2-yl)acrylate2-Propenoic acid, 3-(2-furanyl)-, ethyl ester, (2E)-
DB-0541313-(2-Furanyl)-2-propenoic acid, Ethyl ester

Database identifiers

CAS
53282-12-5、623-20-1
PubChem CID
95368
DTXSID
DTXSID10862313

Properties

Computed structural propertiesFilling in

XLogP
1.9
Topological polar surface area
39.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
12
Formal charge
0
Complexity
175

Physicochemical properties

Melting point
24 · 24-26 °C
Boiling point
235 °C · 235 °C
Density
1.0891 g/cm3 · 1.0891 g/cm3
FEMA
4541 · 4541 | (E)-ETHYL 3-(2-FURYL)ACRYLATE
Odor
sweet
JECFA Number
2103 · 2103
LogP
2.33 · 2.33
Substances Added to Food (formerly EAFUS)
3 · (E)-ETHYL 3-(2-FURYL)ACRYLATE
FDA UNII
89 NQL84I8H · 89NQL84I8H

Chemistry & industry

Suppliers5 total

北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
普善实业(陕西)有限公司029-81310890 18165209495 · [email protected]
上海凯睿生物科技有限公司021-5068 3667/17749785980/1029026415; 17749785980 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]

Additional notes

DefinitionChEBI: (E)-ethyl 3-(2-furyl)acrylate is an ethyl 3-(2-furyl)acrylate in which the double bond adopts a trans-configuration. It has a role as a flavouring agent.

Related reactions

7 records
New reaction record
HRID 672778 reaction equation
HRID 672778As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 675554 reaction equation
HRID 675554As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1226041 reaction equation
HRID 1226041As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1745889 reaction equation
HRID 1745889As reactantuspto-grants-2006_03
HRID 2166704 reaction equation
HRID 2166704As productuspto-grants-1983_06
HRID 2166705 reaction equation
HRID 2166705As reactantuspto-grants-1983_06
HRID 2219990 reaction equation
HRID 2219990As reactantuspto-grants-2008_08

Compound notes

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