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69025

Sigma-Aldrich

1-Methylpyrene

suitable for fluorescence, ≥97.0% (GC)

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About This Item

Empirical Formula (Hill Notation):
C17H12
CAS Number:
2381-21-7
Molecular Weight:
216.28
Beilstein:
1868500
EC Number:
219-178-8
MDL number:
MFCD00014329
UNSPSC Code:
12352108
PubChem Substance ID:
57652170
NACRES:
NA.32
Pricing and availability is not currently available.

Quality Level

100

Assay

≥97.0% (GC)

form

solid

mp

72-74 °C (lit.)

solubility

DMSO: soluble
acetonitrile: soluble
chloroform: soluble

fluorescence

λex 340 nm; λem 486 nm in chloroform
λex 346 nm; λem 378 nm in DMSO

suitability

suitable for fluorescence

SMILES string

Cc1ccc2ccc3cccc4ccc1c2c34

InChI

1S/C17H12/c1-11-5-6-14-8-7-12-3-2-4-13-9-10-15(11)17(14)16(12)13/h2-10H,1H3

InChI key

KBSPJIWZDWBDGM-UHFFFAOYSA-N

Analysis Note

In addition to the emission maximum at 378 nm, there are lower maxima at 398, 420 and 445 nm

Other Notes

Fluorescent probe for the determination of micellar aggregation number[1]

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
BCCM4640
BCCJ2278
BCCF1278
BCBX0856
BCBS1965V

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N. Boens et al.
Chemical Physics Letters, 146, 337-337 (1988)
Bernhard H Monien et al.
Chemical research in toxicology, 21(10), 2017-2025 (2008-09-16)
The alkylated polycyclic aromatic hydrocarbon 1-methylpyrene is a carcinogen in rodents and has been detected in various environmental matrices and foodstuffs. It is activated metabolically by benzylic hydroxylation to 1-hydroxymethylpyrene followed by sulfoconjugation to yield electrophilic 1-sulfooxymethylpyrene (1-SMP) that is
Matthew J Bird et al.
The journal of physical chemistry. A, 124(26), 5487-5495 (2020-05-22)
A novel method to determine redox potentials without electrolyte is presented. The method is based on a new ability to determine the dissociation constant, K°
Pavol Jusko et al.
Chemical physics letters, 698, 206-210 (2018-06-09)
The fragment of the 1-methylpyrene cation,
W Engst et al.
Carcinogenesis, 20(9), 1777-1785 (1999-09-02)
Alkyl-substituted polycyclic aromatic hydrocarbons may be metabolized to highly reactive benzylic sulfuric acid esters via benzylic hydroxylation and subsequent sulfonation. We have studied the benzylic hydroxylation of 1-methylpyrene (MP), a hepatocarcinogen in rodents, and 1-ethylpyrene (EP), whose benzylic hydroxylation would
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