Basic information
- CAS
1438-94-4- Standard SMILES
c1coc(Cn2cccc2)c1- InChIKey
BTBFUBUCCJKJOZ-UHFFFAOYSA-N- Molecular formula
- C9H9NO
- Average molar mass
- 147.17 g/mol
- Monoisotopic mass
- 147.06841391
Overview
1-(2-Furanylmethyl)-1H-pyrrole is a member of pyrroles.
Names & identifiers
- Preferred name
- 1-Furfurylpyrrole
- IUPAC
- 1-(furan-2-ylmethyl)pyrrole
- English name
- 1-Furfurylpyrrole
- Molecular formula
- C9H9NO
- Molecular weight
- 147.17
Names & synonyms
1-FURFURYLPYRROLE1438-94-41-(Furan-2-ylmethyl)-1H-pyrroleN-Furfurylpyrrole1H-Pyrrole, 1-(2-furanylmethyl)-1-(2-Furanylmethyl)-1H-pyrroleN-Furfuryl pyrrole1-Furfuryl-1H-pyrroleN-(2-Furfuryl)pyrrolePyrrole, 1-furfuryl-1-(2-Furfuryl)pyrroleFEMA No. 3284
Show more names
FEMA 3284N-FurfurylFURFURYLPYRROLEFEMA NUMBER 32841-furfuryl-pyrrol
DTXSID5047663BRN 01184761-(2-furylmethyl)pyrroleEINECS 215-876-115HF30X204FURFURYLPYRROLE, N-DTXCID3027663N-FURFURYL PYRROLE [FHFI]
Database identifiers
- CAS
1438-94-4- PubChem CID
- 15037
- DTXSID
DTXSID5047663- ChEMBL
CHEMBL3187231- ChEBI
CHEBI:168927- UNII
- 15HF30X204
- EC Number
- 215-876-1
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 18.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 121
Experimental & physicochemical properties
FragrancesFragrance Ingredient (N-Furfurylpyrrole) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.078-1.084
Flavoring AgentsEU Flavoring substances
SolubilitySoluble (in ethanol)
Boiling Point
77.00 to 79.00 °C. @ 1.00 mm Hg
76-78 °C (1 mm Hg)
Refractive Index1.529-1.536
Physical Description
Liquid
Colourless to yellow liquid; Vegetable, earthy-green aroma
Physicochemical properties
- Boiling point
- 76 · 76-78 °C1 mm Hg(lit.)
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 Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1593 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 1H-Pyrrole, 1-(2-furanylmethyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
1H-Pyrrole, 1-(2-furanylmethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- UX9631000
- ridadr
- UN2810
- hs_code
- 29349990
- risk_code
- 20/21/22-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 27-36/37/39-45-36
- hazard_class
- 6.1
- Storage Class
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information1H-Pyrrole, 1-(2-furanylmethyl)-: ACTIVE
Applications
OccurrenceReported found as a constituent in coffee aroma; a volatile favor component in roasted flberts, roasted almonds; found in wheat bread, roasted chicken, beer, coffee, roasted peanuts, popcorn, malt and okra
Usesflavors and fragrances
General Description1-Furfurylpyrrole has been identified as a potential contributor of flavor and aroma to popcorn. It is also found in roasted almonds.
Preparation methods
PreparationFrom furfuryl amino mucate.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Related reactions
12 records
Compound notes
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