Basic information
- CAS
4466-24-4- Standard SMILES
CCCCc1ccco1- InChIKey
NWZIYQNUCXUJJJ-UHFFFAOYSA-N- Molecular formula
- C8H12O
- Average molar mass
- 124.18 g/mol
- Monoisotopic mass
- 124.088815
Overview
2-butylfuran is a member of the class of furans that is furan in which the hydrogen at position 2 is replaced by a butyl group. It is a constituent found in several plant species and some cooked foods. It has a role as a flavouring agent, a plant metabolite and a human metabolite.
Names & identifiers
- Preferred name
- 2-Butylfuran
- IUPAC
- 2-butylfuran
- English name
- 2-Butylfuran
- Molecular formula
- C8H12O
- Molecular weight
- 124.18
Names & synonyms
2-BUTYLFURANFuran, 2-butyl-2-n-Butylfuran2-n-Butyl furan2-butyl-furanUNII-81JV9ZYK0D81JV9ZYK0DDTXSID8073340CHEBI:89750EINECS 224-732-72-BUTYLFURAN [FHFI]FEMA NO. 4081
Show more names
FEMA 40812-N-Butylfurane2-Butylfuran>2-Butylfuran 98%2-(But-1-yl)furan1-(Fur-2-yl)butane2-n-Butylfuran,98%
NWZIYQNUCXUJJJ-UHFFFAOYSA-RefChem:86044DTXCID3040350224-732-7InChI=1/C8H12O/c1-2-3-5-8-6-4-7-9-8/h4,6-7H,2-3,5H2,1H3NWZIYQNUCXUJJJ-UHFFFAOYSA-N4466-24-4MFCD00047071
Database identifiers
- CAS
4466-24-4- PubChem CID
- 20534
- DTXSID
DTXSID8073340- ChEBI
CHEBI:89750- UNII
- 81JV9ZYK0D
- EC Number
- 224-732-7
- Nikkaji
- J45.583K
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 13.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 71
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.884-0.890
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water
Soluble (in ethanol)
Boiling Point
139.00 to 140.00 °C. @ 760.00 mm Hg
139 °C
Refractive Index1.444-1.450
Physical DescriptionColourless liquid; Spicy aroma
Physicochemical properties
- Boiling point
- 153 · 153-154°C
- Density
- 0 · 0,886 g/cm3
- refractive index
- 1.443 · 1.4430-1.4470
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
Danger
H226 (19.1%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P317, P303+P361+P353, P305+P354+P338, P317, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Furan, 2-butyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Furan, 2-butyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (19.1%)
Safety data
- wgk
- WGK 3
- ridadr
- 3271
- hs_code
- 2932190090
- risk_code
- 10-22
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- hazard_code
- Xn
- safety_code
- 7-33-43-60
- hazard_class
- 3
- Storage Class
- 10 - Combustible liquids
- packing_group
- III
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Applications
OccurrenceReported found in chicken, coffee, cranberry, pork, and tomato.
Uses2-Butylfuran is part of the aroma profile of buckwheat tea and is a reagent in the arylation of heteroarenes.
Suppliers57 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Related reactions
6 records
Compound notes
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