Butyric acid, 3-methyl-2-methylene-, methyl ester
Basic information
- CAS
3070-67-5- Standard SMILES
C=C(C(=O)OC)C(C)C- InChIKey
IJMWNARRWGXIEF-UHFFFAOYSA-N- Molecular formula
- C7H12O2
- Average molar mass
- 128.17 g/mol
- Monoisotopic mass
- 128.08372962
Names & identifiers
- Preferred name
- Butyric acid, 3-methyl-2-methylene-, methyl ester
- IUPAC
- methyl 3-methyl-2-methylidenebutanoate
- English name
- 2-Isopropylpropenoic acid methyl ester
- Molecular formula
- C7H12O2
- Molecular weight
- 128.17
Names & synonyms
3070-67-5methyl 3-methyl-2-methylenebutanoatemethyl 3-methyl-2-methylidenebutanoateButyric acid, 3-methyl-2-methylene-, methyl ester2-Isopropylpropenoic acid methyl esterButanoic acid, 3-methyl-2-methylene-, methyl esterMethyl-2-isopropylacrylatMethyl 2-isopropylacrylateSCHEMBL3909058Methyl .alpha.-isopropylacrylateSCHEMBL13123539DTXSID30336602
Show more names
Methyl2-isopropylacrylate2-Methyleneisovaleric acid methyl ester3-Methyl-2-methylenebutyric acid methyl ester
IJMWNARRWGXIEF-UHFFFAOYSA-NMFCD25962106DA-20133SY284198EN300-7265603
Database identifiers
- CAS
3070-67-5- PubChem CID
- 534902
- DTXSID
DTXSID30336602- Nikkaji
- J113.161C
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 125
Physicochemical properties
- Boiling point
- 139 · 139.0±9.0 °C(Predicted)
- Density
- 0.897 · 0.897±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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