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Key Documents

P53608

Sigma-Aldrich

2-Propylphenol

98%

Synonym(s):

o-Propylphenol

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About This Item

Linear Formula:
CH3CH2CH2C6H4OH
CAS Number:
Molecular Weight:
136.19
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Quality Level

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

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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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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