The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser.
For the best experience on our site, be sure to turn on Javascript in your browser.
This is a demo store. No orders will be fulfilled.
We use cookies to keep things working smoothly and to improve your experience.
Choose what’s okay for you below. See our Cookie Policy .
Accept Cookies
Vinyl 4-tert-Butylbenzoate - >98.0%(GC), high purity , CAS No.15484-80-7
Basic Description
Synonyms
Vinyl 4-tert-butylbenzoate # | ZLHVSEPPILCZHH-UHFFFAOYSA-N | D88795 | AKOS015889571 | Vinyl 4-(1,1-dimethylethyl)benzoate | 4-TERT-BUTYLBENZOICACIDVINYLESTER | vinyl 4-(tert-butyl)benzoate | LS-14217 | Vinyl 4-tert-butylbenzoate, 99% | 4-tert-Butylbenzoic
Specifications & Purity
≥98%(GC)
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acid esters
Alternative Parents
Phenylpropanes Benzoyl derivatives Enol esters Monocarboxylic acids and derivatives Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoate ester - Phenylpropane - Benzoyl - Enol ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
Pubchem Sid
488186291
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488186291
IUPAC Name
ethenyl 4-tert-butylbenzoate
INCHI
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)C1=CC=C(C=C1)C(=O)OC=C
Isomeric SMILES
CC(C)(C)C1=CC=C(C=C1)C(=O)OC=C
PubChem CID
84940
Molecular Weight
204.27
Reaxy-Rn
2095023
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in Methanol
Refractive Index
1.52
Flash Point(°F)
124°C(lit.)
Flash Point(°C)
124°C
Boil Point(°C)
111°C/2.3mmHg
Molecular Weight
204.260 g/mol
XLogP3
4.700
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
4
Exact Mass
204.115 Da
Monoisotopic Mass
204.115 Da
Topological Polar Surface Area
26.300 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
229.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Solution Calculators
Molarity Calculator
Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator
Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator
Shall we send you a message when we have discounts available?
Remind me later
Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
E2325082