Basic information
- CAS
18933-92-1- Standard SMILES
C=CC(=O)OC(C)CC(C)C- InChIKey
BVDBXCXQMHBGQM-UHFFFAOYSA-N- Molecular formula
- C9H16O2
- Average molar mass
- 156.22 g/mol
- Monoisotopic mass
- 156.11502975
Names & identifiers
- Preferred name
- 2-Propenoic acid, 1,3-dimethylbutyl ester
- IUPAC
- 4-methylpentan-2-yl prop-2-enoate
- English name
- 1,3-dimethylbutyl acrylate
- Molecular formula
- C9H16O2
- Molecular weight
- 156.22
Names & synonyms
18933-92-12-Propenoic acid, 1,3-dimethylbutyl esterEINECS 242-685-0DTXSID10884555RefChem:89227DTXCID8010239904-methylpentan-2-yl prop-2-enoate1,3-Dimethylbutyl acrylateSCHEMBL346761,3-dimethylbutyl 2-propenoateBVDBXCXQMHBGQM-UHFFFAOYSA-NNS00052752
Show more names
Propenoic acid 1,3-dimethylbutyl ester
Database identifiers
- CAS
18933-92-1- PubChem CID
- 86808
- DTXSID
DTXSID10884555- EC Number
- 242-685-0
- Nikkaji
- J224.808E
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Boiling point
- 71 °C · 71 °C(Press: 29 Torr)
- Density
- 0.8723 g/cm3 · 0.8723 g/cm3
- EPA Substance Registry System
- 2 · 2-Propenoic acid, 1,3-dimethylbutyl ester (18933-92-1)
- 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, 1,3-dimethylbutyl ester: INACTIVE
Suppliers3 total
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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