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4-Propyltoluene - >99.0%(GC), high purity , CAS No.1074-55-1

1 Citations

COA

Grade & Purity:

≥99%(GC)

Cas Number: 1074-55-1
Molecular Weight: 134.22
Beilstein Registry Number: 5(4)1057
MDL number: MFCD00048698
PubChem CID: 14095
PubChem SID: 488181939

In stock

Item Number

P160392

Grouped product items
SKU	Size	Availability	Price
P160392-1ml	1ml	9	$41.90
P160392-5ml	5ml	2	$158.90
P160392-10ml	10ml	3	$285.90
P160392-25ml	25ml	3	$642.90

View related series

aromatic hydrocarbon (251) Non heterocyclic block (8163)

Basic Description

Synonyms	4-Propyl-1-methylbenzene \| p-n-Propyl toluene \| UNII-37KHA4S4F0 \| D92007 \| P0749 \| FT-0693871 \| BS-22715 \| EINECS 214-044-5 \| NSC 73973 \| Q27256684 \| InChI=1/C10H14/c1-3-4-10-7-5-9(2)6-8-10/h5-8H,3-4H2,1-2H \| NSC-73973 \| P-METHYLPROPYLBENZENE \| 1-Methyl-4
Specifications & Purity	≥99%(GC)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenylpropanes
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpropanes
Alternative Parents	Toluenes Aromatic hydrocarbons Unsaturated hydrocarbons
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenylpropane - Toluene - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
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

Pubchem Sid	488181939
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488181939
IUPAC Name	1-methyl-4-propylbenzene
INCHI	InChI=1S/C10H14/c1-3-4-10-7-5-9(2)6-8-10/h5-8H,3-4H2,1-2H3
InChIKey	JXFVMNFKABWTHD-UHFFFAOYSA-N
Smiles	CCCC1=CC=C(C=C1)C
Isomeric SMILES	CCCC1=CC=C(C=C1)C
PubChem CID	14095
UN Number	3295
Packing Group	III
Molecular Weight	134.22
Beilstein	5(4)1057
Reaxy-Rn	2038362

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.

10 results found

Lot Number	Certificate Type	Date	Item
G2305912	Certificate of Analysis	Jun 10, 2023	P160392
G2305913	Certificate of Analysis	Jun 10, 2023	P160392
G2305916	Certificate of Analysis	Jun 10, 2023	P160392
G23051284	Certificate of Analysis	Jun 10, 2023	P160392
G23051287	Certificate of Analysis	Jun 10, 2023	P160392
G2305914	Certificate of Analysis	Jun 10, 2023	P160392
G2305915	Certificate of Analysis	Jun 10, 2023	P160392
G2305917	Certificate of Analysis	Jun 10, 2023	P160392
G2221098	Certificate of Analysis	Jun 08, 2022	P160392
D2325100	Certificate of Analysis	Jun 08, 2022	P160392

Chemical and Physical Properties

Refractive Index	1.49
Flash Point(°C)	56 °C
Boil Point(°C)	183°C(lit.)
Molecular Weight	134.220 g/mol
XLogP3	3.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Exact Mass	134.11 Da
Monoisotopic Mass	134.11 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	78.000
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

Citations of This Product

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