Methyl 3-cyclopropylprop-2-ynoate
Basic information
- CAS
80866-48-4- Standard SMILES
COC(=O)C#CC1CC1- InChIKey
JXHTVVYMKULOIV-UHFFFAOYSA-N- Molecular formula
- C7H8O2
- Average molar mass
- 124.14 g/mol
- Monoisotopic mass
- 124.05242949
Names & identifiers
- Preferred name
- Methyl 3-cyclopropylprop-2-ynoate
- IUPAC
- methyl 3-cyclopropylprop-2-ynoate
- English name
- methyl 3-cyclopropylpropynoate
- Molecular formula
- C7H8O2
- Molecular weight
- 124.14
Names & synonyms
methyl 3-cyclopropylprop-2-ynoate80866-48-4RefChem:815426877-335-1methyl 3-cyclopropylpropiolatemethyl 3-cyclopropylpropynoateMFCD03035227Methyl 3-cyclopropyl-2-propynoatemethyl3-cyclopropylpropiolateSCHEMBL125487SCHEMBL18485605JXHTVVYMKULOIV-UHFFFAOYSA-N
Show more names
3-cyclopropylyneacidmethyl esterMETHYL 3-CYCLOPROPYLPROP-2-YNOATE(WX191364)2-Propynoic acid, 3-cyclopropyl-, methyl ester
FDA86648STK675996ZB1172AKOS005594179cyclopropyl-propynoic acid methyl esterAS-60150DA-41317SY214173
Database identifiers
- CAS
80866-48-4- PubChem CID
- 701378
- EC Number
- 877-335-1
- Nikkaji
- J2.233.852H
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 178
Physicochemical properties
- Boiling point
- 85 · 85-88 °C(Press: 30 Torr)
- Density
- 1.09 · 1.09±0.1 g/cm3(Predicted)
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 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 CategoriesSkin Irrit. 2 (100%)
Related reactions
4 records
Compound notes
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