Methyl but-2-ynoate
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Basic information
- CAS
23326-27-4- Standard SMILES
CC#CC(=O)OC- InChIKey
UJQCANQILFWSDJ-UHFFFAOYSA-N- Molecular formula
- C5H6O2
- Average molar mass
- 98.1 g/mol
- Monoisotopic mass
- 98.03677943
Names & identifiers
- Preferred name
- Methyl but-2-ynoate
- IUPAC
- methyl but-2-ynoate
- English name
- Methyl 2-butynoate
- Molecular formula
- C5H6O2
- Molecular weight
- 98.1
Names & synonyms
methyl but-2-ynoateUJQCANQILFWSDJ-UHFFFAOYSA-RefChem:817663675-802-2InChI=1/C5H6O2/c1-3-4-5(6)7-2/h1-2H3Methyl 2-butynoate23326-27-4Methyl tetrolate2-Butynoic acid, methyl esterMFCD000092732-Butynoic Acid Methyl Esterbut-2-ynoic acid methyl ester
Show more names
Methyle2-butynoateMethyl-2-Butynaote97%Methyl 2-butynoate,97%Methyl 2-butynoate, 97% 5GRMethyl2-butynoate=Methyltetrolate
METHYL2-BUTYNOATETetrolic Acid Methyl Estermethylbut-2-ynoateMethyl 3-methylpropiolate; Methyl methylacetylenecarboxylate;Methyl methylpropiolate; Methyl tetrolateNSC 244950;Methyl methylpropiolateMethyl 3-methylpropiolateMETHYL-2-BUTYNOATE2-Butynoic acid,methylester
Database identifiers
- CAS
23326-27-4- PubChem CID
- 141019
- DTXSID
DTXSID90177876- EC Number
- 675-802-2
- Nikkaji
- J209.012K
Properties
Computed structural propertiesFilling in
- XLogP
- 1.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 124
Physicochemical properties
- Boiling point
- 76 · 76-77 °C (80 mmHg)
- Density
- 0.98 · 0.98
- refractive index
- 1.436 · 1.436-1.438
- Flash point
- 45 °C · 45 °C
- storage temp.
- Flammables area
- form
- Liquid
- color
- Clear colorless to yellow
- InChI
- InChI=1S/C5H6O2/c1-3-4-5(6)7-2/h1-2H3
- InChIKey
- UJQCANQILFWSDJ-UHFFFAOYSA-N
- SMILES
- C(OC)(=O)C#CC
- CAS DataBase Reference
- 23326 · 23326-27-4(CAS DataBase Reference)
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 226 · H226-H315-H319
- Precautionary statements
- 210 · P210-P233-P240-P241+P242+P243-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- ridadr
- 1993
- hs_code
- 29161900
- risk_code
- 10-36/37/38-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xn
- safety_code
- 16-36/37/39-26
- hazard_class
- 3.2
- packing_group
- III
- Hazard statements
- H226-H315-H319
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P210-P233-P240-P241+P242+P243-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501
Chemistry & industry
Applications
UsesMethyl 2-Butynoate, is an alkynoate used in preparation of various compounds such as preparation of phenanthrenes/benzoindolyl carboxylates.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
38 records
Compound notes
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