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2-Propylphenol - >98.0%(GC), high purity , CAS No.644-35-9

COA

Grade & Purity:

≥98%(GC)

Cas Number: 644-35-9
Molecular Weight: 136.19
Beilstein Registry Number: 6499
MDL number: MFCD00002251
PubChem CID: 12570
PubChem SID: 488181701

In stock

Item Number

P160564

Grouped product items
SKU	Size	Availability	Price
P160564-1ml	1ml	3	$9.90
P160564-5ml	5ml	2	$17.90
P160564-25ml	25ml	1	$65.90
P160564-100ml	100ml	2	$235.90

View related series

Non heterocyclic block (8163) phenol (506)

Basic Description

Synonyms	Q27256223 \| o-Propylphenol \| o-propyl-phenol \| 1-Hydroxy-2-propylbenzene \| 2-Propylphenol, >=97%, FG \| NSC-65646 \| TS-01757 \| NCGC00256723-01 \| UNII-333R6F6T3N \| 1-Hydroxy-2-n-propylbenzene \| NCIOpen2_000115 \| NSC 65646 \| 4i7m \| GLXC-26030 \| O-PROPYLPHENO
Specifications & Purity	≥98%(GC)
Storage Temp	Protected from light,Argon charged
Shipped In	Normal
Product Description	Application 2-Propylphenol can be used as: A ligand to prepare iridium complex for the study of equilibria between iridium hydride alkylidene structures and their corresponding hydride olefin isomers. A model compound in the study of Pt/C-catalyzed H-D exchange reactions of aromatic compounds using D2O.

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	1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenylpropane - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - 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

Mechanisms of Action

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

Names and Identifiers

Pubchem Sid	488181701
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488181701
IUPAC Name	2-propylphenol
INCHI	InChI=1S/C9H12O/c1-2-5-8-6-3-4-7-9(8)10/h3-4,6-7,10H,2,5H2,1H3
InChIKey	LCHYEKKJCUJAKN-UHFFFAOYSA-N
Smiles	CCCC1=CC=CC=C1O
Isomeric SMILES	CCCC1=CC=CC=C1O
WGK Germany	3
RTECS	SM8600000
PubChem CID	12570
Molecular Weight	136.19
Beilstein	6499
Reaxy-Rn	1363932

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

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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7 results found

Lot Number	Certificate Type	Date	Item
F2503461	Certificate of Analysis	Jul 03, 2024	P160564
E2528469	Certificate of Analysis	Jul 03, 2024	P160564
E2213047	Certificate of Analysis	Mar 15, 2022	P160564
L2413131	Certificate of Analysis	Mar 15, 2022	P160564
E2213032	Certificate of Analysis	Mar 15, 2022	P160564
E2213046	Certificate of Analysis	Mar 15, 2022	P160564
E2213040	Certificate of Analysis	Mar 15, 2022	P160564

Chemical and Physical Properties

Sensitivity	light & air sensitive
Refractive Index	1.527
Flash Point(°F)	199.4 °F
Flash Point(°C)	93°C(lit.)
Boil Point(°C)	214°C
Molecular Weight	136.190 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	136.089 Da
Monoisotopic Mass	136.089 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	90.700
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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