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(3-Methylbutyl)benzene - >98.0%(GC), high purity , CAS No.2049-94-7

COA

Grade & Purity:

≥98%(GC)

Cas Number: 2049-94-7
Molecular Weight: 148.25
Beilstein Registry Number: 1855610
MDL number: MFCD00008948
PubChem CID: 16294

In stock

Item Number

M158408

Grouped product items
SKU	Size	Availability	Price	Qty
M158408-1ml	1ml	2	$19.90
M158408-5ml	5ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$76.90

View related series

aromatic hydrocarbon (251) Non heterocyclic block (8163)

Basic Description

Synonyms	3-methylbutylbenzene \| 3-methyl-butyl-benzene \| EINECS 218-075-5 \| D6FF9OY109 \| D91368 \| DTXSID30174465 \| XNXIYYFOYIUJIW-UHFFFAOYSA-N \| Benzene, (3-methylbutyl)- \| FT-0634003 \| Benzene,(3-methylbutyl)- \| 1-Phenyl-3-methylbutane \| NSC 62142 \| (3-METHYLBUTY
Specifications & Purity	≥98%(GC)
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzene and substituted derivatives
Alternative Parents	Aromatic hydrocarbons Unsaturated hydrocarbons
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Monocyclic benzene moiety - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
External Descriptors	Not available
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

Names and Identifiers

IUPAC Name	3-methylbutylbenzene
INCHI	InChI=1S/C11H16/c1-10(2)8-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKey	XNXIYYFOYIUJIW-UHFFFAOYSA-N
Smiles	CC(C)CCC1=CC=CC=C1
Isomeric SMILES	CC(C)CCC1=CC=CC=C1
WGK Germany	3
Molecular Weight	148.25
Beilstein	1855610
Reaxy-Rn	1855612
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1855612&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.

6 results found

Lot Number	Certificate Type	Date	Item
G2417438	Certificate of Analysis	Apr 16, 2024	M158408
G2417439	Certificate of Analysis	Apr 16, 2024	M158408
G2408223	Certificate of Analysis	Mar 20, 2024	M158408
G2408249	Certificate of Analysis	Mar 20, 2024	M158408
G2408250	Certificate of Analysis	Mar 20, 2024	M158408
G2408251	Certificate of Analysis	Mar 20, 2024	M158408

Chemical and Physical Properties

Refractive Index	1.486
Flash Point(°F)	149 °F
Flash Point(°C)	65°C
Boil Point(°C)	197 °C
Molecular Weight	148.240 g/mol
XLogP3	4.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	3
Exact Mass	148.125 Da
Monoisotopic Mass	148.125 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	88.200
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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