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W268100

Sigma-Aldrich

4-Methylanisole

≥99%, FCC, FG

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Linear Formula:
CH3C6H4OCH3
CAS Number:
Molecular Weight:
122.16
FEMA Number:
2681
Beilstein/REAXYS Number:
1237336
EC Number:
Council of Europe no.:
188
MDL number:
PubChem Substance ID:
Flavis number:
4.015
NACRES:
NA.21

biological source

synthetic

Quality Level

grade

FG
Fragrance grade
Halal
Kosher

agency

follows IFRA guidelines

reg. compliance

EU Regulation 1223/2009
EU Regulation 1334/2008 & 178/2002
FCC
FDA 21 CFR 117
FDA 21 CFR 172.515

vapor pressure

5.25 mmHg ( 50 °C)

assay

≥99%

refractive index

n20/D 1.511 (lit.)

bp

174 °C (lit.)

density

0.969 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

fragrance allergen

no known allergens

organoleptic

minty; camphoraceous; phenolic

SMILES string

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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Related Categories

signalword

Warning

Hazard Classifications

Acute Tox. 4 Oral - Aquatic Chronic 3 - Flam. Liq. 3 - Repr. 2 - Skin Irrit. 2

Storage Class

3 - Flammable liquids

wgk_germany

WGK 2

flash_point_c

59 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter


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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
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
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

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