1,1-Dimethylethyl 4-ethenylphenyl carbonate
Basic information
- CAS
87188-51-0- Standard SMILES
C=Cc1ccc(OC(=O)OC(C)(C)C)cc1- InChIKey
GJWMYLFHBXEWNZ-UHFFFAOYSA-N- Molecular formula
- C13H16O3
- Average molar mass
- 220.26 g/mol
- Monoisotopic mass
- 220.10994437
Names & identifiers
- Preferred name
- 1,1-Dimethylethyl 4-ethenylphenyl carbonate
- IUPAC
- tert-butyl (4-ethenylphenyl) carbonate
- English name
- Tert-Butyl 4-Vinylphenyl Carbonate
- Molecular formula
- C13H16O3
- Molecular weight
- 220.26
Names & synonyms
87188-51-0Carbonic acid, 1,1-dimethylethyl 4-ethenylphenyl ester1,1-Dimethylethyl 4-ethenylphenyl carbonateDTXSID2073695RefChem:1051805DTXCID4048569tert-Butyl 4-vinylphenyl carbonatetert-Butyl (4-vinylphenyl) carbonateTBSMtert-butyl 4-ethenylphenyl carbonatetert-butyl (4-ethenylphenyl) carbonate4-(tert-butoxycarbonyloxy)styrene
Show more names
PTBCStert-Butyl p-vinylphenyl carbonate4-Tertiarybutoxycarbonyloxystyrenep-tert-butoxycarbonyloxystyrenemonomer
MFCD00145182p-tert-butoxycarbonyloxystyrene4-t-butoxycarbonyloxystyrene4-BOC-styrenep-tert-Butoxycarbonyloxystyrene monomerTERT-BUTYL4-VINYLPHENYLCARBONATEC-1566p-t-butoxycarbonyloxystyrene
Database identifiers
- CAS
87188-51-0- PubChem CID
- 93485
- DTXSID
DTXSID2073695- EC Number
- 689-292-4
- Nikkaji
- J709.554F
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 244
Physicochemical properties
- Melting point
- 27 · 27-29 °C(lit.)
- Boiling point
- 187 °C · 187 °C(lit.)
- Density
- 1.1101 · 1.1101 (rough estimate)
- refractive index
- 1.509 · 1.5090 (estimate)
- Flash point
- 230 °F · >230 °F
- storage temp.
- -20 °C, · -20°C, sealed storage, away from moisture
- Appearance
- Colorless to light yellow Viscous Liquid
- InChI
- InChI=1S/C13H16O3/c1-5-10-6-8-11(9-7-10)15-12(14)16-13(2,3)4/h5-9H,1H2,2-4H3
- InChIKey
- GJWMYLFHBXEWNZ-UHFFFAOYSA-N
- SMILES
- C(OC1=CC=C(C=C)C=C1)(=O)OC(C)(C)C
- EPA Substance Registry System
- 1 · Carbonic acid, 1,1-dimethylethyl 4-ethenylphenyl ester (87188-51-0)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
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
- wgk
- 2
- rtecs
- FG0460000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Applications
UsesUsed as an intermediate in organic synthesis.
Upstream & downstream products
Upstream raw materials
Related reactions
19 records
Compound notes
Loading…