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2-Phenyl-2-propanol - ≥97%, high purity , CAS No.617-94-7

2 Citations

COA

Grade & Purity:

≥97%

Cas Number: 617-94-7
Molecular Weight: 136.19
Beilstein Registry Number: 1905012
EC Number: 210-539-5
MDL number: MFCD00004456
PubChem CID: 12053
PubChem SID: 504752253

In stock

Item Number

P107040

Grouped product items
SKU	Size	Availability	Price
P107040-1g	1g	2	$9.90
P107040-5g	5g	3	$17.90
P107040-25g	25g	3	$51.90
P107040-100g	100g	1	$169.90
P107040-500g	500g	1	$495.90

View related series

alcohol (850) Alcohol C9 (1) Non heterocyclic block (8163) Oxygenated compounds (806)

Basic Description

Synonyms	FT-0613314 \| (1-hydroxy-1-methylethyl)benzene \| 2-phenyl-propan-2-ol \| 2-Phenylpropan-2-ol \| Benzyl alcohol, .alpha.,.alpha.-dimethyl- \| NSC 1261 \| PS-4036 \| NCGC00248623-01 \| NSC1261 \| NSC-1261 \| EC 210-539-5 \| a,a-dimethylbenzyl alcohol \| alpha,alpha-Di
Specifications & Purity	≥97%
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.
Product Description	Product Application： It is an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff. It is used as chemical intermediate.

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	Tertiary alcohols Hydrocarbon derivatives Aromatic alcohols
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenylpropane - Tertiary alcohol - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Alcohol - 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	a small molecule
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)

Pseudomonas aeruginosa (123386 Activities)

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

Staphylococcus aureus (210822 Activities)

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

Escherichia coli (133304 Activities)

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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

Pubchem Sid	504752253
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504752253
IUPAC Name	2-phenylpropan-2-ol
INCHI	InChI=1S/C9H12O/c1-9(2,10)8-6-4-3-5-7-8/h3-7,10H,1-2H3
InChIKey	BDCFWIDZNLCTMF-UHFFFAOYSA-N
Smiles	CC(C)(C1=CC=CC=C1)O
Isomeric SMILES	CC(C)(C1=CC=CC=C1)O
WGK Germany	3
RTECS	DO4562000
Molecular Weight	136.19
Beilstein	1905012
Reaxy-Rn	1905012
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1905012&ln=

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

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

Analytical Chart:

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27 results found

Lot Number	Certificate Type	Date	Item
C2517550	Certificate of Analysis	Feb 15, 2025	P107040
C2517552	Certificate of Analysis	Feb 15, 2025	P107040
C2517551	Certificate of Analysis	Feb 15, 2025	P107040
K2426664	Certificate of Analysis	Nov 14, 2024	P107040
K2426665	Certificate of Analysis	Nov 14, 2024	P107040
J2412652	Certificate of Analysis	Sep 26, 2024	P107040
J2412644	Certificate of Analysis	Sep 26, 2024	P107040
J2412651	Certificate of Analysis	Sep 26, 2024	P107040
E2420475	Certificate of Analysis	May 13, 2024	P107040
E2420470	Certificate of Analysis	May 13, 2024	P107040
E2420486	Certificate of Analysis	May 13, 2024	P107040
E2420481	Certificate of Analysis	May 13, 2024	P107040
E2413504	Certificate of Analysis	May 07, 2024	P107040
H2419092	Certificate of Analysis	May 07, 2024	P107040
E2015100	Certificate of Analysis	Mar 13, 2024	P107040
B2428431	Certificate of Analysis	Jan 18, 2024	P107040
B2428435	Certificate of Analysis	Jan 18, 2024	P107040
B2428436	Certificate of Analysis	Jan 18, 2024	P107040
B2428439	Certificate of Analysis	Jan 18, 2024	P107040
G1917007	Certificate of Analysis	May 06, 2023	P107040
H2407067	Certificate of Analysis	May 31, 2022	P107040
K2323063	Certificate of Analysis	May 31, 2022	P107040
F2228482	Certificate of Analysis	May 31, 2022	P107040
F2228485	Certificate of Analysis	May 31, 2022	P107040
F2228476	Certificate of Analysis	May 31, 2022	P107040
F2228481	Certificate of Analysis	May 31, 2022	P107040
C2201051	Certificate of Analysis	Mar 23, 2022	P107040

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Chemical and Physical Properties

Solubility	Insoluble in water.
Refractive Index	1.519-1.522
Flash Point(°F)	190.4 °F
Flash Point(°C)	88℃
Boil Point(°C)	202°C
Melt Point(°C)	28-32°C
Molecular Weight	136.190 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
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	101.000
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

How to Cite Aladdin Scientific Products?

1. Zhicheng Chen, Yuchan Deng, Guangxing Yang, Ya-Nan Zhu, Qiao Zhang, Zhiting Liu, Yonghai Cao, Feng Peng. (2023) Understanding of Cumene Oxidation Catalyzed by Metal–Nitrogen–Carbon through Theoretical Simulations and Kinetic Validation. ACS Sustainable Chemistry & Engineering, 11 (14): (5773–5781).
2. Shengcun Ma,Yiqun Gan,Baiyang Chen,Zhong Tang,Stuart Krasner. (2016-09-27) Understanding and exploring the potentials of household water treatment methods for volatile disinfection by-products control: Kinetics, mechanisms, and influencing factors.. Journal of hazardous materials, 321 (509-516).

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2-Phenyl-2-propanol - ≥97%, high purity , CAS No.617-94-7

Basic Description

Taxonomic Classification

Associated Targets(non-human)

Mechanisms of Action

Names and Identifiers

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

Show more⌵

Chemical and Physical Properties

Citations of This Product

Solution Calculators

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

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