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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

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)
Synthetic, Mechanistic, and Theoretical Studies on the Generation of Iridium Hydride Alkylidene and Iridium Hydride Alkene Isomers
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Chemistry?A European Journal , 15(36), 9046-9057 (2009)
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
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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