6-(Acryloyloxy)hexyl o-benzoylbenzoate
Basic information
- CAS
61630-26-0- Standard SMILES
C=CC(=O)OCCCCCCOC(=O)c1ccccc1C(=O)c1ccccc1- InChIKey
JBYFBBJPUAPECR-UHFFFAOYSA-N- Molecular formula
- C23H24O5
- Average molar mass
- 380.4 g/mol
- Monoisotopic mass
- 380.16237386
Names & identifiers
- Preferred name
- 6-(Acryloyloxy)hexyl o-benzoylbenzoate
- IUPAC
- 6-prop-2-enoyloxyhexyl 2-benzoylbenzoate
- English name
- 6-(acryloyloxy)hexyl o-benzoylbenzoate
- Molecular formula
- C23H24O5
- Molecular weight
- 380.43
Names & synonyms
6-(Acryloyloxy)hexyl o-benzoylbenzoate61630-26-0EINECS 262-877-8YG6CB769NGSCHEMBL7548467DTXSID40210646JBYFBBJPUAPECR-UHFFFAOYSA-NDB-317872NS000531986-[(Prop-2-enoyl)oxy]hexyl 2-benzoylbenzoate6-[(1-Oxo-2-propen-1-yl)oxy]hexyl 2-benzoylbenzoateBenzoic acid, 2-benzoyl-, 6-[(1-oxo-2-propen-1-yl)oxy]hexyl ester
Show more names
2-Benzoylbenzoic acid 6-[(1-oxo-2-propenyl)oxy]hexyl ester
Database identifiers
- CAS
61630-26-0- PubChem CID
- 3017271
- DTXSID
DTXSID40210646- UNII
- YG6CB769NG
- EC Number
- 262-877-8
- Nikkaji
- J279.705D
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 13
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 521
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 505.7 · 505.7±30.0 °C(Predicted)
- Density
- 1.131 · 1.131±0.06 g/cm3(Predicted)
- FDA UNII
- 6 CB769NG · YG6CB769NG
- Comptox DTXSID
- 40210646 · DTXSID40210646
- HS Code
- 2918300090 · 2918300090
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
- hs_code
- 2918300090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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