2-Propenoic acid, 2-methylheptyl ester
Basic information
- CAS
67952-49-2- Standard SMILES
C=CC(=O)OCC(C)CCCCC- InChIKey
IJGPXKDCRJMTQS-UHFFFAOYSA-N- Molecular formula
- C11H20O2
- Average molar mass
- 184.27 g/mol
- Monoisotopic mass
- 184.14632988
Names & identifiers
- Preferred name
- 2-Propenoic acid, 2-methylheptyl ester
- IUPAC
- 2-methylheptyl prop-2-enoate
- English name
- 2-methylheptyl acrylate
- Molecular formula
- C11H20O2
- Molecular weight
- 184.28
Names & synonyms
67952-49-22-Propenoic acid, 2-methylheptyl esterEINECS 267-902-6DTXSID00887055RefChem:89272DTXCID8010263702-Methylheptyl acrylate2-methylheptyl prop-2-enoateSCHEMBL991726IJGPXKDCRJMTQS-UHFFFAOYSA-NNS00054603Acrylic acid 2-methylheptyl ester
Show more names
Propenoic acid 2-methylheptyl ester
Database identifiers
- CAS
67952-49-2- PubChem CID
- 106992
- DTXSID
DTXSID00887055- EC Number
- 267-902-6
- Nikkaji
- J317.278C
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 152
Physicochemical properties
- Boiling point
- 227.7 · 227.7±9.0 °C(Predicted)
- Density
- 0.881 · 0.881±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 2 · 2-Methylheptyl acrylate (67952-49-2)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Propenoic acid, 2-methylheptyl ester: INACTIVE
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…