Merck
CN
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文件

W269905

Sigma-Aldrich

6-甲基香豆素

≥99%, FCC, FG

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别名:
6-methylchromen-2-one, Cocodescol, Pralina, Toncair, Toncarine
经验公式（希尔记法）:
C10H8O2
CAS号:
92-48-8
分子量:
160.17
FEMA编号:
2699
EC 号:
202-158-8
欧洲委员会编号:
579
MDL编号:
MFCD00006875
PubChem化学物质编号:
24901267
Flavis编号:
13.012
NACRES:
NA.21

生物来源

synthetic

质量水平

400

等级

FG
Halal
Kosher

Agency

meets purity specifications of JECFA

reg. compliance

EU Regulation 1334/2008 & 178/2002
FCC

检测方案

≥99%

bp

303 °C/725 mmHg (lit.)

mp

73-76 °C (lit.)

application(s)

flavors and fragrances

文件

see Safety & Documentation for available documents

食品过敏原

no known allergens

性状检查

coconut; creamy; sage; vanilla

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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相关类别

生化/生理作用

5ppm 时的味道

象形图

Exclamation markHealth hazard
GHS07,GHS08

警示用语：

Danger

危险声明

H302 - H317 - H334

危险分类

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

储存分类代码

11 - Combustible Solids

WGK

WGK 3

闪点(°F)

Not applicable

闪点(°C)

Not applicable

个人防护装备

dust mask type N95 (US), Eyeshields, Faceshields, Gloves

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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
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
Feiying Zhang et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 71(2), 710-713 (2008-03-25)
The infrared absorption spectra of the carbonyl stretching vibrations of 6-methylcoumarin (6MC) have been investigated in CCl4/ROH mixtures (CCl4/C2H5OH, CCl4/n-C3H7OH, CCl4/i-C3H7OH, and CCl4/t-C5H11OH). Two types of carbonyl stretching vibration bands for 6MC are found with the change of the mole
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