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P53802

Sigma-Aldrich

4-Propylphenol

99%

Synonym(s):

p-Propylphenol

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About This Item

Linear Formula:
CH3CH2CH2C6H4OH
CAS Number:
645-56-7
Molecular Weight:
136.19
EC Number:
211-446-2
MDL number:
MFCD00002395
UNSPSC Code:
12352100
PubChem Substance ID:
24898628
NACRES:
NA.22

assay

99%

refractive index

n20/D 1.523 (lit.)

bp

232 °C (lit.)

density

0.983 g/mL at 25 °C (lit.)

SMILES string

CCCc1ccc(O)cc1

InChI

1S/C9H12O/c1-2-3-8-4-6-9(10)7-5-8/h4-7,10H,2-3H2,1H3

InChI key

KLSLBUSXWBJMEC-UHFFFAOYSA-N

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pictograms

CorrosionExclamation mark
GHS05,GHS07

signalword

Danger

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Aquatic Chronic 3 - Eye Dam. 1 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

8A - Combustible corrosive hazardous materials

wgk_germany

WGK 3

flash_point_f

222.8 °F - closed cup

flash_point_c

106 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Certificates of Analysis (COA)

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C J Rompelberg et al.
Chemico-biological interactions, 99(1-3), 85-97 (1996-01-05)
The irreversible and reversible inhibition of glutathione S-transferases (GSTs) by eugenol was studied in rat, mouse and man. Using liver cytosol of human, rat and mouse, species differences were found in the rate of irreversible inhibition of GSTs by eugenol
Isabella Karlsson et al.
Photochemistry and photobiology, 88(4), 904-912 (2012-03-21)
Octocrylene is an organic UV filter, commonly used in sunscreens and cosmetics, which can give rise to both contact and photocontact allergy. Our aim was to investigate octocrylene's interaction with amino acid analogs in the presence of UV radiation to
Shosuke Ito et al.
Journal of dermatological science, 80(1), 18-24 (2015-08-01)
Tyrosinase is able to oxidize a great number of phenols and catechols to form ortho-quinones. Ortho-quinones are highly reactive compounds that exert cytotoxicity through binding with thiol enzymes and the production of reactive oxygen species. Certain phenolic (and catecholic) compounds
Cynthia D Selassie et al.
Journal of medicinal chemistry, 48(23), 7234-7242 (2005-11-11)
In this comprehensive study on the caspase-mediated apoptosis-inducing effect of 51 substituted phenols in a murine leukemia cell line (L1210), we determined the concentrations needed to induce caspase activity by 50% (I50) and utilized these data to develop the following
Alfonso Pérez-Garrido et al.
Bioorganic & medicinal chemistry, 17(2), 896-904 (2008-12-06)
This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoretical molecular descriptors, calculated solely from the molecular structure of the compounds under investigation

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