(+-)-Tetrahydro-2-furoic acid
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Basic information
- CAS
16874-33-2- Standard SMILES
O=C(O)C1CCCO1- InChIKey
UJJLJRQIPMGXEZ-UHFFFAOYSA-N- Molecular formula
- C5H8O3
- Average molar mass
- 116.11 g/mol
- Monoisotopic mass
- 116.04734411
Overview
structure given in first source; RN given refers to cpd without isomeric designation
Names & identifiers
- Preferred name
- (+-)-Tetrahydro-2-furoic acid
- IUPAC
- oxolane-2-carboxylic acid
- English name
- 2-Tetrahydrofuroic acid
- Molecular formula
- C5H8O3
- Molecular weight
- 116.12
Names & synonyms
16874-33-2Tetrahydro-2-furancarboxylic acidTHFCCJ7M2QK6X3DTXSID601030927tetrahydrofuroic acidRefChem:905517(+-)-Tetrahydro-2-furoic acidDTXCID30224439605-530-12-Tetrahydrofuroic AcidTETRAHYDROFURAN-2-CARBOXYLIC ACID
Show more names
THFACTetrahydrofurioic Acid2-TetrahydrofuroicTIMTEC-BB SBB004298Terazosin Impurity 12-Tetrahydrofuroic a
Tetrahydro-2-furoic acidoxolane-2-carboxylic acid2-Furancarboxylic acid, tetrahydro-MFCD00022473NSC-521564Furancarboxylic acid, tetrahydro-UNII-CJ7M2QK6X3tetrahydro-furan-2-carboxylic acid
Database identifiers
- CAS
16874-33-2- PubChem CID
- 86079
- DTXSID
DTXSID601030927- ChEMBL
CHEMBL4447232- UNII
- CJ7M2QK6X3
- EC Number
- 605-530-1
- Nikkaji
- J261.111B
Properties
Computed structural propertiesFilling in
- XLogP
- 0.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 99.8
Experimental & physicochemical properties
Chemical ClassesIndustrial compound
Physicochemical properties
- Melting point
- 21 °C · 21°C
- Boiling point
- 128 · 128-129 °C13 mm Hg(lit.)
- Density
- 1.209 g/mL · 1.209 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.46(lit.)
- Flash point
- 139 °C · 139 °C
- storage temp.
- 2 · Sealed in dry,2-8°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 3.6 · 3.60±0.20(Predicted)
- form
- Liquid
- color
- Clear yellow to brown
- Water Solubility
- soluble
- BRN
- 109671 · 109671
- InChI
- 1S/C5H8O3/c6-5(7)4-2-1-3-8-4/h4H,1-3H2,(H,6,7)
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
H302 (94.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 126 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
REACH registered substance: oxolane-2-carboxylic acid (EC: 605-530-1)
2-Tetrahydrofuran carboxylic acid: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (94.4%)
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 3265 8/PG 3
- hs_code
- 29321900
- risk_code
- 22-34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-36/37/39-45-28A
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
Chemistry & industry
Applications
Uses2-Tetrahydrofuroic acid is used as a reagent to synthesize Alfuzosin (HCl: A532000), an unselective alpha-1 blocker that is used to treat lower urinary tract symptoms and benign prostatic hyperplasia.
General DescriptionTetrahydro-2-furoic acid inhibits the programmed cell death of Xanthomonas campestris strains. It is a specific inhibitor of proline dehydrogenase, a mitochondrial flavoenzyme that oxidizes proline.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
67 records
Compound notes
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