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M36203

Sigma-Aldrich

6-Methylcoumarin

≥99%

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About This Item

Empirical Formula (Hill Notation):
C10H8O2
CAS Number:
92-48-8
Molecular Weight:
160.17
EC Number:
202-158-8
MDL number:
MFCD00006875
UNSPSC Code:
12352100
PubChem Substance ID:
24896858
NACRES:
NA.22

Assay

≥99%

bp

303 °C/725 mmHg (lit.)

mp

73-76 °C (lit.)

SMILES string

Cc1ccc2OC(=O)C=Cc2c1

InChI

1S/C10H8O2/c1-7-2-4-9-8(6-7)3-5-10(11)12-9/h2-6H,1H3

InChI key

FXFYOPQLGGEACP-UHFFFAOYSA-N

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Pictograms

Health hazardExclamation mark
GHS08,GHS07

Signal Word

Danger

Hazard Statements

H302,H317,H334

Hazard Classifications

Acute Tox. 4 Oral - Resp. Sens. 1 - Skin Sens. 1

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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Barry C Pemberton et al.
Chemical communications (Cambridge, England), 47(22), 6323-6325 (2011-05-05)
Guest induced shape change of the cucurbit[8]uril cavity is likely rate limiting in the supramolecular photocatalytic cycle for CB8 mediated photodimerization of 6-methylcoumarin.
W P Jordan
Contact dermatitis, 8(2), 109-116 (1982-03-01)
This report describes modifications in the techniques used for both the induction and elicitation of photoallergic contact dermatitis (PACD) in the guinea pig. These changes have improved the reliability of this animal as the model of choice for screening chemicals
Masatoshi Hoya et al.
Toxicology in vitro : an international journal published in association with BIBRA, 23(5), 911-918 (2009-04-11)
In this study, with the aim of developing a cell-based in vitro photosensitization assay, we examined whether changes of CD86 and CD54 expression on cells of a human monocytic cell line, THP-1, could be used to assess the photosensitizing potential
Barry C Pemberton et al.
Chemical communications (Cambridge, England), 46(2), 225-227 (2009-12-22)
Cucurbit[8]uril (as low as 10 mol%) acts as a supramolecular catalytic nanoreaction vessel and facilitates the photodimerization of coumarins in water leading to syn dimers. Saturation kinetics shows a sigmoidal dependence with a turnover number of 3.4 min(-1) and a
Veenasangeeta Sortur et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 64(2), 301-307 (2006-04-29)
Fourier transform-infrared (4000-400 cm-1) and Raman (3500-50 cm-1) spectral measurements have been made for 6-methyl-4-bromomethylcoumarin. Equilibrium structures, harmonic vibrational frequencies, infrared intensities, and depolarization ratios have been computed at RHF/6-31G* and B3LYP/6-31G* levels of theory. Twisting CH2Br moiety in the
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