4-Allyltoluene - ≥97% , CAS No.3333-13-9

CAS: 3333-13-9 Cat. No.: A169644 Peso molecular: 132.20 Número EC: 222-063-5
Disponible para pedir
GRADE & PURITY ≥97%
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-
Storage
Store at 2-8°C,Argon charged
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1g
A169644-1g
2
79,90US$
5g
A169644-5g
1
319,90US$
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Argon charged Ships Wet ice Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
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-
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Store at 2-8°C, Argon charged
Enviado en
Wet ice
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Pureza
≥97%
Nombres e identificadores
Pubchem Sid504755111
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504755111
Sonrisas canónicasCC1=CC=C(C=C1)CC=C
IUPAC Name1-methyl-4-prop-2-enylbenzene
InChIKeyWAEOXIOXMKNFLQ-UHFFFAOYSA-N
INCHI1S/C10H12/c1-3-4-10-7-5-9(2)6-8-10/h3,5-8H,1,4H2,2H3
Isómeros SMILES CC1=CC=C(C=C1)CC=C
WGK Alemania 3
Peso molecular 132.20
Reaxy-Rn 1098608
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1098608&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClaseBenzene and substituted derivatives
SubclassToluenes
Intermediate Tree Nodes Not available
Direct ParentToluenes
Alternative Parents Aromatic hydrocarbons  Cyclic olefins  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Toluene - Aromatic hydrocarbon - Cyclic olefin - Unsaturated hydrocarbon - Olefin - Hydrocarbon - Aromatic homomonocyclic compound
DescripciónThis 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
Estructura 3D
Modelo de Estructura Química Interactiva





Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot NumberCertificate TypeFechaArticulo
H2316253Certificate of AnalysisMay 20, 2026 A169644
H2316254Certificate of AnalysisMay 20, 2026 A169644
H2316255Certificate of AnalysisMay 20, 2026 A169644
H2316256Certificate of AnalysisMay 20, 2026 A169644
Propiedades químicas y físicas
Índice de refracción1.509
Punto de inflamación (°F)129.2 °F
Punto de inflamación (°C)54 °C
Peso molecular132.200 g/mol
XLogP33.400
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Exact Mass132.094 Da
Monoisotopic Mass132.094 Da
Topological Polar Surface Area0.000 Ų
Heavy Atom Count10
Formal Charge0
Complexity96.600
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluciones
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