Basic information
- CAS
2688-48-4- Standard SMILES
O=C1Cc2cc(O)ccc2O1- InChIKey
POUITAHNNRJWMA-UHFFFAOYSA-N- Molecular formula
- C8H6O3
- Average molar mass
- 150.13 g/mol
- Monoisotopic mass
- 150.03169405
Overview
5-hydroxybenzofuran-2-one is a member of the class of 1-benzofurans that is 1-benzofuran-2(3H)-one substituted by a hydroxy group at position 5. It has a role as an antifungal agent and a fungal metabolite. It is an aromatic alcohol and a member of 1-benzofurans.
Names & identifiers
- Preferred name
- 5-Hydroxybenzofuran-2-one
- IUPAC
- 5-hydroxy-3H-1-benzofuran-2-one
- English name
- HOMOGENTISIC ACID GAMMA-LACTONE
- Molecular formula
- C8H6O3
- Molecular weight
- 150.13
Names & synonyms
Homogentisic Acid gamma-Lactone5-Hydroxy-2-coumaranone5-Hydroxy-2(3H)-benzofuranone5-Hydroxybenzofuran-2-one2,3-Dihydro-5-hydroxybenzofuran-2-one5-hydroxy-1-benzofuran-2(3H)-oneEINECS 220-252-7NSC 61996CHEBI:141343DTXSID00181388RefChem:536233DTXCID10103879
Show more names
AKOS BBS-00000246HOMOGENTISIC LACTONEHOMOGENTISIC GAMMA-LACTONEHomogentisic acidγ-lactone5-Hydroxy-2-coumaranone,97%
220-252-72688-48-45-Hydroxybenzofuran-2(3H)-one5-hydroxy-3H-1-benzofuran-2-oneHomogentisic Acid Lactone2(3H)-Benzofuranone, 5-hydroxy-5-Hydroxy-3H-benzofuran-2-oneHomogentisic Acid |A-Lactone
Database identifiers
- CAS
2688-48-4- PubChem CID
- 75898
- DTXSID
DTXSID00181388- ChEMBL
CHEMBL450556- ChEBI
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 178
Physicochemical properties
- Melting point
- 192 · 192-194 °C
- Boiling point
- 231.65 °C · 231.65°C (rough estimate)
- Density
- 1.436 · 1.436
- refractive index
- 1.45 · 1.4500 (estimate)
- storage temp.
- 2 · Sealed in dry,2-8°C
- solubility
- Acetone, Ethyl Acetate, DMSO
- form
- Solid
- pka
- 9.28 · 9.28±0.20(Predicted)
- color
- Pale Brown
- BRN
- 128621 · 128621
- CAS DataBase Reference
- 2688 · 2688-48-4(CAS DataBase Reference)
- FDA UNII
- 7 CQ3NRA2 · MG7CQ3NRA2
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P305+P351+P338
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
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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 8-10-23
- wgk
- 3
- hs_code
- 29163990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-24/25
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P305+P351+P338
Chemistry & industry
Applications
UsesHomogentisic Acid γ-Lactone (cas# 2688-48-4) is a compound useful in organic synthesis.
Upstream & downstream products
Upstream raw materials
Suppliers68 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
北京诺德恒信化工技术有限公司010-84929330 13811281791 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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