Vinyl 4-(1,1-dimethylethyl)benzoate
Basic information
- CAS
15484-80-7- Standard SMILES
C=COC(=O)c1ccc(C(C)(C)C)cc1- InChIKey
ZLHVSEPPILCZHH-UHFFFAOYSA-N- Molecular formula
- C13H16O2
- Average molar mass
- 204.26 g/mol
- Monoisotopic mass
- 204.11502975
Names & identifiers
- Preferred name
- Vinyl 4-(1,1-dimethylethyl)benzoate
- IUPAC
- ethenyl 4-tert-butylbenzoate
- English name
- 4-tert-Butylbenzoic acid vinyl ester
- Molecular formula
- C13H16O2
- Molecular weight
- 204.26
Names & synonyms
15484-80-7Vinyl 4-(1,1-dimethylethyl)benzoateEINECS 239-510-5DTXSID40165748RefChem:194308DTXCID7088239239-510-54-tert-Butylbenzoic Acid Vinyl EsterVinyl 4-tert-butylbenzoateethenyl 4-tert-butylbenzoatevinyl 4-(tert-butyl)benzoateVinyl-4-t-butyl benzoate
Show more names
VinyltbutylbenzoateTIMTEC-BB SBB006526VINYL 4-T-BUTYLBENZOATEEthylene tert butyl benzoateVinyl 4-tert-butylbenzoate 99%Vinyl 4-tert-Butylbenzoate >
MFCD00080692Benzoic acid, 4-(1,1-dimethylethyl)-, ethenyl estervinyl p-tert-butylbenzoatevinyl-p-tert.-butylbenzoatG5TPN7T27ZSCHEMBL109622Vinyl 4-tert-butylbenzoate #Vinyl 4-tert-butylbenzoate, 99%
Database identifiers
- CAS
15484-80-7- PubChem CID
- 84940
- DTXSID
DTXSID40165748- UNII
- G5TPN7T27Z
- EC Number
- 239-510-5
- Nikkaji
- J33.488J
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Boiling point
- 100 °C/0.5 · 100 °C/0.5 mmHg (lit.)
- Density
- 0.999 g/mL · 0.999 g/mL at 25 °C (lit.)
- vapor pressure
- 0.133 Pa · 0.133Pa at 20℃
- refractive index
- 20 · n20/D 1.518(lit.)
- Flash point
- 230 °F · >230 °F
- solubility
- soluble in Methanol
- form
- Liquid
- Specific Gravity
- 1 · 1.000
- color
- Colorless to Almost colorless
- InChI
- 1S/C13H16O2/c1-5-15-12(14)10-6-8-11(9-7-10)13(2,3)4/h5-9H,1H2,2-4H3
- InChIKey
- ZLHVSEPPILCZHH-UHFFFAOYSA-N
- SMILES
- CC(C)(C)c1ccc(cc1)C(=O)OC=C
- LogP
- 3.94 at · 3.94 at 25℃ and pH7
- Surface tension
- 31.9 mN/m · 31.9mN/m at 1g/L and 20℃
- CAS DataBase Reference
- 15484 · 15484-80-7(CAS DataBase Reference)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationREACH registered substance: Vinyl 4-(1,1-dimethylethyl)benzoate (EC: 239-510-5)
Safety data
- PPE
- Eyeshields, Gloves
- wgk
- 3
- hs_code
- 2916.39.7900
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS07,GHS09
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H302-H410-H317-H373-H360F
- REACH Registrations
- Inactive
- Precautionary statements
- P273-P391-P501-P260-P314-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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