Basic information
- CAS
25790-35-6- Standard SMILES
CC(=O)CC(=O)c1ccco1- InChIKey
GPYKJDYMMUIUFG-UHFFFAOYSA-N- Molecular formula
- C8H8O3
- Average molar mass
- 152.15 g/mol
- Monoisotopic mass
- 152.04734412
Overview
1-(2-Furanyl)-1,3-butanedione is an aromatic ketone.
Names & identifiers
- Preferred name
- 1,3-Butanedione, 1-(2-furanyl)-
- IUPAC
- 1-(furan-2-yl)butane-1,3-dione
- English name
- 1-(2-FURYL)-1,3-BUTANEDIONE
- Molecular formula
- C8H8O3
- Molecular weight
- 152.15
Names & synonyms
1-(2-Furyl)-1,3-butanedione25790-35-61-(furan-2-yl)butane-1,3-dione1-(2-Furanyl)-1,3-butanedione1,3-Butanedione, 1-(2-furanyl)-Furoyl acetoneFurfuryl-1,3-butanedione1,3-Butanedione, 1-(2-furyl)-EINECS 247-265-0AI3-11707DTXSID3067150RefChem:72538
Show more names
1-(2-Furyl)-12-(1,3-Dioxo-butyl)furan1-(2-furanyl)-3-butanedione
DTXCID7037393GPYKJDYMMUIUFG-UHFFFAOYSA-N2-Furoylacetone1-(2-Furyl)-1,3-butadione1-(2-Furyl)butane-1,3-dioneMFCD000417591-(2-FURYL)-2,3-BUTANEDIONE(2-Furoyl)acetone
Database identifiers
- CAS
25790-35-6- PubChem CID
- 12168
- DTXSID
DTXSID3067150- ChEBI
CHEBI:173651- UNII
- PX9TQ2V5AQ
- EC Number
- 247-265-0
- Nikkaji
- J267.233B
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 47.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 174
Experimental & physicochemical properties
Food AdditivesUse unspecified -> FDA Substance added to food
Physicochemical properties
- Boiling point
- 98 °C · 98 °C (5 mmHg)
- Density
- 1.1677 · 1.1677 (rough estimate)
- refractive index
- 1.5735 · 1.5735-1.5755
- Flash point
- 84 · 84-86°C/1mm
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 8.57 · 8.57±0.23(Predicted)
- form
- Liquid After Melting
- color
- Clear yellow to orange-brown
- LogP
- 1.43 · 1.430 (est)
- CAS DataBase Reference
- 25790 · 25790-35-6(CAS DataBase Reference)
- Substances Added to Food (formerly EAFUS)
- 1 · 1-(2-FURYL)-1,3-BUTANEDIONE
- EPA Substance Registry System
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 1,3-Butanedione, 1-(2-furanyl)-
1,3-Butanedione, 1-(2-furanyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
- hs_code
- 29321900
- risk_code
- 36/37/38-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25-26
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
General Manufacturing Information1,3-Butanedione, 1-(2-furanyl)-: INACTIVE
Suppliers25 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
成都麦卡希化工有限公司028-85632863 18108198598 · [email protected]
山东鑫牧源化工科技有限公司19105383610
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
Related reactions
14 records
Compound notes
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