Basic information
- CAS
4208-49-5- Standard SMILES
C=CCOC(=O)c1ccco1- InChIKey
SJRQTHAMRUOPBJ-UHFFFAOYSA-N- Molecular formula
- C8H8O3
- Average molar mass
- 152.15 g/mol
- Monoisotopic mass
- 152.04734411
Overview
2-Propenyl 2-furancarboxylate is a carboxylic ester. It is functionally related to a 2-furoic acid.
Names & identifiers
- Preferred name
- Allyl furoate
- IUPAC
- prop-2-enyl furan-2-carboxylate
- English name
- Allyl 2-furoate
- Molecular formula
- C8H8O3
- Molecular weight
- 152.15
Names & synonyms
Allyl 2-furoate4208-49-5Allyl furoateAllyl pyromucateAllyl 2-furancarboxylate2-Furoic acid, allyl ester2-Furancarboxylic acid, 2-propenyl esterFEMA No. 20302-Propen-1-yl 2-furoate2-Propen-1-yl furan-2-carboxylateEINECS 224-128-3NSC 18604
Show more names
FEMA 20302-ALLYL FUROATEALLYL 2-FUROATE 98+%Allyl furan-2-carboxylate2-Furoic acid allyl ester2-Allyl furoate USP/EP/BP
AI3-360082-Furancarboxylic acid, 2-propen-1-yl esterNSC-186040X7Y34707NDTXSID6063353ALLYL 2-FUROATE [FHFI]2-Furoic acid, allyl ester (8CI)2-PROPENYL FURAN-2-CARBOXYLATE
Database identifiers
- CAS
4208-49-5- PubChem CID
- 61337
- DTXSID
DTXSID6063353- ChEMBL
CHEMBL2268884- ChEBI
CHEBI:173650
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 153
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.181 (23 °C)
Flavoring AgentsEU Flavoring substances
Solubility(in ethanol)
Boiling Point
206.00 to 209.00 °C. @ 760.00 mm Hg
206-209 °C
Refractive Index1.4945
Physical DescriptionColourless or pale straw liquid which darkens when exposed to air and daylight: has a caramelic, fruity odour
Physicochemical properties
- Melting point
- 209 °C · 209 °C
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Regulatory Information
Chemical: 2-Furancarboxylic acid, 2-propenyl ester
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2-Furancarboxylic acid, 2-propenyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Safety data
- PPE
- Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information2-Furancarboxylic acid, 2-propen-1-yl ester: ACTIVE
Applications
OccurrenceReported found in grilled and roasted beef and shoyu (fermented soya hydrolysate).
Usesflavors and fragrances
Suppliers72 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
山东海舟生物工程有限公司130-0567-0367 13006570367 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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