Methyl 4-hydroxybut-2-ynoate
Basic information
- CAS
31555-05-2- Standard SMILES
COC(=O)C#CCO- InChIKey
SYPLUFBJMSFMTN-UHFFFAOYSA-N- Molecular formula
- C5H6O3
- Average molar mass
- 114.1 g/mol
- Monoisotopic mass
- 114.03169405
Names & identifiers
- Preferred name
- Methyl 4-hydroxybut-2-ynoate
- IUPAC
- methyl 4-hydroxybut-2-ynoate
- English name
- Methyl-4-hydroxy-2-butynoate
- Molecular formula
- C5H6O3
- Molecular weight
- 114.1
Names & synonyms
methyl 4-hydroxybut-2-ynoateDTXSID00315166RefChem:816469DTXCID40266289960-032-431555-05-2METHYL-4-HYDROXY-2-BUTYNOATEmethyl 4-hydroxy-2-butynoateMFCD00029655methyl 5-hydroxypent-2-ynoateNSC2926832-Butynoic acid, 4-hydroxy-, methyl ester
Show more names
Tetrolic acid, hydroxy-, methyl ester4-Hydroxy-2-butynoic acid methyl ester4-hydroxy-2-pentynoatemethyl4-hydroxybut-2-ynoateMethyl 4-hydroxy-2-butyratemethyl 4-hydroxy-2-butinoateSCHEMBL3277502methyl gamma-hydroxy-2-butynoate
Database identifiers
- CAS
31555-05-2- PubChem CID
- 325086
- DTXSID
DTXSID00315166- EC Number
- 960-032-4
- Nikkaji
- J773.864A
Properties
Computed structural properties
- XLogP
- -0.1
- 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
- 136
Physicochemical properties
- Boiling point
- 120 °C · 120 °C(Press: 6 Torr)
- Density
- 1.196 · 1.196±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 13.11 · 13.11±0.10(Predicted)
- Appearance
- Colorless to off-white Liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · 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
H227 (100%): Combustible liquid [Warning Flammable liquids]
P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers
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Related reactions
3 records
Compound notes
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