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3-Ethyltoluene - 98%, high purity , CAS No.620-14-4

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3-Ethyltoluene - 98%, high purity , CAS No.620-14-4

1 Citations

COA

Grade & Purity:

≥98%

Cas Number: 620-14-4
Molecular Weight: 120.19
Beilstein Registry Number: 1850821
EC Number: 210-626-8
MDL number: MFCD00009259
PubChem CID: 12100

In stock

Item Number

E113367

Grouped product items
SKU	Size	Availability	Price
E113367-1ml	1ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$11.90
E113367-5ml	5ml	5	$25.90
E113367-25ml	25ml	1	$109.90
E113367-100ml	100ml	2	$379.90

View related series

aromatic hydrocarbon (251) Non heterocyclic block (8163)

Basic Description

Synonyms	DTXSID6050386 \| m-Ethylmethylbenzene \| AKOS009158576 \| Benzene, 3-ethyl-1-methyl- \| EN300-32024 \| F11740 \| m-Ethyl_toluene \| 1-Ethyl-3-methylbenzene \| 1-Ethyl-3-methyl-benzene \| M-ETHYLTOLUENE \| 1398065-64-9 \| 3-ethyl toluene \| Toluene, m-ethyl- \| Z337707
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Toluenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Toluenes
Intermediate Tree Nodes	Not available
Direct Parent	Toluenes
Alternative Parents	Aromatic hydrocarbons Unsaturated hydrocarbons
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Toluene - Aromatic hydrocarbon - Unsaturated hydrocarbon - 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	toluenes
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. DOI: 10.1186/s13321-016-0174-y

Associated Targets(non-human)

Oryctolagus cuniculus (11301 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	1-ethyl-3-methylbenzene
INCHI	InChI=1S/C9H12/c1-3-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3
InChIKey	ZLCSFXXPPANWQY-UHFFFAOYSA-N
Smiles	CCC1=CC=CC(=C1)C
Isomeric SMILES	CCC1=CC=CC(=C1)C
WGK Germany	3
RTECS	DA0712000
UN Number	3295
Packing Group	I
Molecular Weight	120.19
Beilstein	1850821
Reaxy-Rn	1850821
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1850821&ln=

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.

8 results found

Lot Number	Certificate Type	Date	Item
B2510177	Certificate of Analysis	Dec 26, 2024	E113367
B2510336	Certificate of Analysis	Dec 26, 2024	E113367
B2510337	Certificate of Analysis	Dec 26, 2024	E113367
F2406017	Certificate of Analysis	Aug 09, 2023	E113367
H2318303	Certificate of Analysis	Aug 09, 2023	E113367
H2318304	Certificate of Analysis	Aug 09, 2023	E113367
H2318305	Certificate of Analysis	Aug 09, 2023	E113367
H2318306	Certificate of Analysis	Aug 09, 2023	E113367

Chemical and Physical Properties

Solubility	Not miscible or difficult to mix in water.
Refractive Index	1.496
Flash Point(°F)	100.4 °F
Flash Point(°C)	38℃
Boil Point(°C)	158-159 °C
Melt Point(°C)	-96°C
Molecular Weight	120.190 g/mol
XLogP3	3.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	120.094 Da
Monoisotopic Mass	120.094 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	76.100
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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