Basic information
- CAS
498-89-5- Standard SMILES
O=C1CC(C(=O)O)CO1- InChIKey
ONSWFYLALGXCIQ-UHFFFAOYSA-N- Molecular formula
- C5H6O4
- Average molar mass
- 130.1 g/mol
Names & identifiers
- Preferred name
- 2-Oxooxolane-4-carboxylic acid
- IUPAC
- 5-oxooxolane-3-carboxylic acid
- English name
- 5-oxo-tetrahydrofuran-3-carboxylic acid
- Molecular formula
- C5H6O4
- Molecular weight
- 130.1
Names & synonyms
498-89-52-Oxooxolane-4-carboxylic acidRefChem:477792830-087-85-oxotetrahydrofuran-3-carboxylic acid5-oxooxolane-3-carboxylic Acid(+/-)-Paraconic AcidMFCD19228081)-ParaconicAcid5-oxo-tetrahydrofuran-3-carboxylic acidSCHEMBL546967ONSWFYLALGXCIQ-UHFFFAOYSA-N
Show more names
(±)-Paraconic Acid
AAA498895-oxotetrahydrofuran-3-carboxylicacidAKOS006375828DA-054623-Furancarboxylic acid, tetrahydro-5-oxo-CS-0058348EN300-113234H41233
Database identifiers
- CAS
498-89-5- PubChem CID
- 11051676
- EC Number
- 830-087-8
- Nikkaji
- J10.588K
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Melting point
- 55 · 55 - 60°C
- storage temp.
- -20 °C · -20°C Freezer, Under inert atmosphere
- solubility
- Chloroform (Slightly, Heated), DMSO, Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 302 · H302-H318-H315-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H302-H318-H315-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
Uses(±)-Paraconic Acid is used as a reagent in the synthesis of methylenecarboxybutyrolactones which have antibacterial activity.
Suppliers6 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
南京合巨药业有限公司025-57027686 17372956142 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
上海锐谱医药科技有限公司15895968936 · [email protected]
Related reactions
2 records
Compound notes
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