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1-Ethyl-4-[(4-methylphenyl)ethynyl]benzene - ≥98% , CAS No.22692-80-4

CAS: 22692-80-4 Cat. No.: E404445 Molecular Weight: 220.32 EC Number: 894-612-2
COA
1-Ethyl-4-[(4-methylphenyl)ethynyl]benzene - ≥98% CAS No(22692-80-4) by Aladdin Scientific
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
XAA69280 | AB91823 | E1408 | 1-Ethyl-4-[(4-methylphenyl)ethynyl]benzene | 1-Ethyl-4-[(4-methylphenyl)ethynyl]-benzene | MFCD04038793 | 1-(4-ETHYL-4-[(P-TOLYL)ETHYLNYL]BENZENE | 1-ethyl-4-[2-(4-methylphenyl)ethynyl]benzene | AKOS027327533 | Benzene,1-ethyl
Storage
Room temperature
★
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5g
E404445-5g
5

$12.90

$19.90
Save $7.00 (35.18%)
25g
E404445-25g
3

$47.90

$71.90
Save $24.00 (33.38%)
100g
E404445-100g
2

$99.90

$149.90
Save $50.00 (33.36%)
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SDS
Safety data
COA
Certificate
DS
Datasheet
SP
Spec sheet
Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews
🧪

Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships 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

Synonyms
XAA69280 | AB91823 | E1408 | 1-Ethyl-4-[(4-methylphenyl)ethynyl]benzene | 1-Ethyl-4-[(4-methylphenyl)ethynyl]-benzene | MFCD04038793 | 1-(4-ETHYL-4-[(P-TOLYL)ETHYLNYL]BENZENE | 1-ethyl-4-[2-(4-methylphenyl)ethynyl]benzene | AKOS027327533 | Benzene, 1-ethyl
Specifications & Purity
≥98%
Storage
Room temperature
Purity
≥98%
Names and Identifiers
Pubchem Sid488197474
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488197474
Canonical SmilesCCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C
IUPAC Name1-ethyl-4-[2-(4-methylphenyl)ethynyl]benzene
InChIKeyLFNSILZUJYWPJS-UHFFFAOYSA-N
INCHI1S/C17H16/c1-3-15-8-10-17(11-9-15)13-12-16-6-4-14(2)5-7-16/h4-11H,3H2,1-2H3
Isomeric SMILES CCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C
Molecular Weight 220.32
Reaxy-Rn 10000646
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10000646&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.

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📊 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
ClassBenzene and substituted derivatives
SubclassToluenes
Intermediate Tree Nodes Not available
Direct ParentToluenes
Alternative Parents Aromatic hydrocarbons  Acetylenes  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Toluene - Aromatic hydrocarbon - Unsaturated hydrocarbon - Acetylene - Hydrocarbon - Aromatic homomonocyclic compound
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





Certificates（CoA,COO,BSE/TSE and Analysis Chart)
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.

3 results found

Lot NumberCertificate TypeDateItem
J2228503Certificate of AnalysisAug 19, 2025 E404445
J2228509Certificate of AnalysisAug 19, 2025 E404445
J2228530Certificate of AnalysisAug 19, 2025 E404445
Chemical and Physical Properties
Boil Point(°C)136 °C/1 mmHg
Melt Point(°C)73 °C
Molecular Weight220.310 g/mol
XLogP35.100
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count3
Exact Mass220.125 Da
Monoisotopic Mass220.125 Da
Topological Polar Surface Area0.000 Ų
Heavy Atom Count17
Formal Charge0
Complexity274.000
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
Solution Calculators
Reviews

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