W268100
对甲基苯甲醚
≥99%, FCC, FG
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关于此项目
线性分子式:
CH3C6H4OCH3
化学文摘社编号:
分子量:
122.16
FEMA编号:
2681
Beilstein:
1237336
EC 号:
欧洲委员会编号:
188
MDL编号:
UNSPSC代码:
12164502
PubChem化学物质编号:
Flavis编号:
4.015
NACRES:
NA.21
Agency:
follows IFRA guidelines
生物来源
synthetic
质量水平
等级
FG
Fragrance grade
Halal
Kosher
Agency
follows IFRA guidelines
管理合规性
EU Regulation 1223/2009
EU Regulation 1334/2008 & 178/2002
FCC
FDA 21 CFR 117
FDA 21 CFR 172.515
蒸汽压
5.25 mmHg ( 50 °C)
方案
≥99%
折射率
n20/D 1.511 (lit.)
沸点
174 °C (lit.)
密度
0.969 g/mL at 25 °C (lit.)
应用
flavors and fragrances
文件
see Safety & Documentation for available documents
食品过敏原
no known allergens
致敏芳香化合物
no known allergens
性状检查
minty; camphoraceous; phenolic
SMILES字符串
COc1ccc(C)cc1
InChI
1S/C8H10O/c1-7-3-5-8(9-2)6-4-7/h3-6H,1-2H3
InChI key
CHLICZRVGGXEOD-UHFFFAOYSA-N
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警示用语：
Warning
危险分类
Acute Tox. 4 Oral - Flam. Liq. 3 - Repr. 2 - Skin Irrit. 2
储存分类代码
3 - Flammable liquids
WGK
WGK 2
闪点(°F)
138.2 °F - closed cup
闪点(°C)
59 °C - closed cup
个人防护装备
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
法规信息
危险化学品
此项目有
Occurrence of aromatic methyl migration (NIH-shift) during oxidation of p-methylanisole by hemin-thiolester complex as a cytochrome P-450 model.
H Sakurai et al.
Biochemical and biophysical research communications, 108(4), 1649-1654 (1982-10-29)
B Brunsborg et al.
Toxicology letters, 73(3), 209-212 (1994-09-01)
4-Methoxytoluene was given by gavage to 4 groups of 20 rats at dosage levels of 0, 40, 120 or 240 mg kg-1 body weight/day for 4 weeks. There was a statistically significant decrease in serum creatinine and urea in the
L Higgins et al.
Archives of biochemistry and biophysics, 385(1), 220-230 (2001-05-22)
Regioselectivity is used to determine the absolute energetic differences for four different reactions catalyzed by P450. Abstraction of a hydrogen from a benzylic carbon containing a chlorine has a 1.0 kcal/mol lower barrier than abstraction from a simple benzylic carbon
Jiangou Huang et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 67(3-4), 824-829 (2006-11-01)
One-color (1C), two-color (2C) resonant two-photon ionization (R2PI), and mass analyzed threshold ionization (MATI) methods have been applied to study the S(1)<--S(0) transition and threshold ionization of p-methylanisole. The excitation energy of the S(1)<--S(0) transition is determined to be 35,401+/-2
Alessandro Scarso et al.
Journal of the American Chemical Society, 125(46), 13981-13983 (2003-11-13)
Reversible coencapsulation of a solute molecule and a single solvent molecule takes place in solution at ambient temperature. Two isomeric complexes are formed (social isomers), and their relative energies are assessed by NMR methods. Intermolecular interactions between 3 aromatic solutes
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