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4-Allyltoluene - 97%, high purity , CAS No.3333-13-9
Basic Description
Synonyms
p-Methylallylbenzene | 1-Methyl-4-(2-propenyl)benzene | 1-methyl-4-(2-propenyl)-benzene | NSC73971 | NSC-73971 | D76863 | MFCD00048186 | EINECS 206-663-4 | NSC 73971 | starbld0009775 | 3-(4-Methylphenyl)prop-1-ene | Benzene, 1-methyl-4-(2-propenyl)- | FT-
Specifications & Purity
≥97%
Storage Temp
Store at 2-8°C,Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Toluenes
Intermediate Tree Nodes
Not available
Direct Parent
Toluenes
Alternative Parents
Aromatic hydrocarbons Cyclic olefins
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Toluene - Aromatic hydrocarbon - Cyclic olefin - Unsaturated hydrocarbon - Olefin - Hydrocarbon - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as toluenes. These are compounds containing a benzene ring which bears a methane group.
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
504755111
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504755111
IUPAC Name
1-methyl-4-prop-2-enylbenzene
INCHI
InChI=1S/C10H12/c1-3-4-10-7-5-9(2)6-8-10/h3,5-8H,1,4H2,2H3
InChIKey
WAEOXIOXMKNFLQ-UHFFFAOYSA-N
Smiles
CC1=CC=C(C=C1)CC=C
Isomeric SMILES
CC1=CC=C(C=C1)CC=C
WGK Germany
3
Molecular Weight
132.20
Reaxy-Rn
1098608
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1098608&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Refractive Index
1.509
Flash Point(°F)
129.2 °F
Flash Point(°C)
54 °C
Molecular Weight
132.200 g/mol
XLogP3
3.400
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
2
Exact Mass
132.094 Da
Monoisotopic Mass
132.094 Da
Topological Polar Surface Area
0.000 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
96.600
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
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H2316255