W269905
6-Methylcoumarin
≥99%, FCC, FG
Synonym(s):
6-methylchromen-2-one, Cocodescol, Pralina, Toncair, Toncarine
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About This Item
Empirical Formula (Hill Notation):
C10H8O2
CAS Number:
Molecular Weight:
160.17
FEMA Number:
2699
Council of Europe no.:
579
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
13.012
EC Number:
202-158-8
NACRES:
NA.21
MDL number:
Organoleptic:
coconut; creamy; sage; vanilla
Grade:
FG, Halal, Kosher
Biological source:
synthetic
Agency:
meets purity specifications of JECFA
Food allergen:
no known allergens
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
biological source
synthetic
grade
FG, Halal, Kosher
agency
meets purity specifications of JECFA
reg. compliance
EU Regulation 1334/2008 & 178/2002, FCC
assay
≥99%
bp
303 °C/725 mmHg (lit.)
mp
73-76 °C (lit.)
application(s)
flavors and fragrances
documentation
see Safety & Documentation for available documents
food allergen
no known allergens
organoleptic
coconut; creamy; sage; vanilla
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Related Categories
Application
- Development of Sustainable Insecticide Candidates for Protecting Pollinators: Insight into the Bioactivities, Selective Mechanism of Action and QSAR of Natural Coumarin Derivatives against Aphids.: This study explores the potential of 6-Methylcoumarin and other natural coumarin derivatives as sustainable insecticides, highlighting their bioactivities and selective mechanism of action. The research aims to protect pollinators while targeting aphids, providing a promising alternative to conventional pesticides (Zhou et al., 2023).
- Conductive Vial Electromembrane Extraction of Opioids from Oral Fluid.: This research presents a novel method using conductive vial electromembrane extraction for isolating opioids from oral fluid. While the primary focus is on opioids, the study utilizes 6-Methylcoumarin as a key component in the extraction process, showcasing its versatility in analytical chemistry applications (Skaalvik et al., 2023).
- 6-Methylcoumarin Promotes Melanogenesis through the PKA/CREB, MAPK, AKT/PI3K, and GSK3β/β-Catenin Signaling Pathways.: This article investigates the role of 6-Methylcoumarin in promoting melanogenesis, detailing the molecular pathways involved. The findings suggest potential applications in dermatology and cosmetic science, particularly in skin pigmentation treatments (Kim et al., 2023).
- Recursively Positive and Negative Chemotaxis Coupling with Reaction Kinetics in Self-Organized Inanimate Motion.: This research delves into the chemotactic behavior of inanimate particles, using 6-Methylcoumarin in the reaction kinetics studies. The study contributes to the understanding of self-organizing systems, with implications for material science and biophysics (Matsuo et al., 2023).
Biochem/physiol Actions
Taste at 5 ppm
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 4 Oral - Resp. Sens. 1 - Skin Sens. 1
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Faceshields, Gloves
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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
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
B G Lake et al.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, 32(8), 743-751 (1994-08-01)
The mechanism of coumarin-induced hepatotoxicity in the rat has been investigated by comparing the effects of coumarin with those of three coumarin derivatives, namely 3,4-dihydrocoumarin (DHC), 3,4-dimethylcoumarin (3,4-DMC) and 6-methylcoumarin (6-MC). Male Sprague-Dawley rats were fed either control diet or
Anuradha Ramoji et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 77(5), 1039-1047 (2010-09-22)
Infrared absorption and Raman spectra (3500-50 cm(-1)) of 3-acetyl-6-bromocoumarin and 3-acetyl-6-methylcoumarin have been measured and interpreted, aided by electronic structure calculations at RHF and B3LYP using 6-31(d, p) basis set. It has been determined that the rotation of the acetyl
F X Bernard et al.
Cell biology and toxicology, 16(6), 391-400 (2001-03-20)
The reconstituted human epidermis model SkinEthic was used to evaluate the phototoxicity of topically applied chemicals. For comparison with published data, we first tested a library of 13 nonphototoxic (NPT) and phototoxic (PT) compounds, applied onto SkinEthic reconstituted human epidermal
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