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P53608

Sigma-Aldrich

2-Propylphenol

98%

Synonym(s):

o-Propylphenol

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About This Item

Linear Formula:
CH3CH2CH2C6H4OH
CAS Number:
644-35-9
Molecular Weight:
136.19
EC Number:
211-415-3
MDL number:
MFCD00002251
UNSPSC Code:
12352100
PubChem Substance ID:
24898626
NACRES:
NA.22

Quality Level

100

Assay

98%

refractive index

n20/D 1.527 (lit.)

bp

224-226 °C (lit.)

density

0.989 g/mL at 25 °C (lit.)

SMILES string

CCCc1ccccc1O

InChI

1S/C9H12O/c1-2-5-8-6-3-4-7-9(8)10/h3-4,6-7,10H,2,5H2,1H3

InChI key

LCHYEKKJCUJAKN-UHFFFAOYSA-N

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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.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

8A - Combustible corrosive hazardous materials

WGK

WGK 3

Flash Point(F)

199.4 °F - closed cup

Flash Point(C)

93 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Aromatic ring favorable and efficient H--D exchange reaction catalyzed by pt/c
Sajiki H, et al.
Tetrahedron Letters, 46(41), 6995-6998 (2005)
H P Kohler et al.
Applied and environmental microbiology, 59(3), 860-866 (1993-03-01)
A mutant of Pseudomonas sp. strain HBP1, originally isolated on 2-hydroxybiphenyl, was selected for the ability to grow on 2-propylphenol as the sole carbon and energy source. In the mutant strain, which was designated as Pseudomonas sp. strain HBP1 Prp
Synthetic, Mechanistic, and Theoretical Studies on the Generation of Iridium Hydride Alkylidene and Iridium Hydride Alkene Isomers
Lara P, et al.
Chemistry?A European Journal , 15(36), 9046-9057 (2009)
M C Jaspers et al.
Journal of bacteriology, 182(2), 405-417 (2000-01-12)
The regulation of 2-hydroxybiphenyl and 2,2'-dihydroxybiphenyl degradation in Pseudomonas azelaica is mediated by the regulatory gene, hbpR. The hbpR gene encodes a 63-kDa protein belonging to the NtrC family of prokaryotic transcriptional activators and having the highest homology to members
Jiang Yan et al.
Science advances, 6(45) (2020-11-08)
Phenol is an important commodity chemical in the industry, which is currently produced using fossil feedstocks. Here, we report a strategy to produce phenol from lignin by directly deconstructing Csp2-Csp3 and C-O bonds under mild conditions. It was found that
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