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W343609

Sigma-Aldrich

1-Methyl-3-methoxy-4-isopropylbenzene

98%

Synonym(s):

2-Isopropyl-5-methylanisole, O-Methylthymol, NSC 404221, Thymol methyl ether

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About This Item

Empirical Formula (Hill Notation):
C11H16O
CAS Number:
1076-56-8
Molecular Weight:
164.24
FEMA Number:
3436
EC Number:
214-063-9
Council of Europe no.:
11245
MDL number:
MFCD01674973
UNSPSC Code:
12164502
PubChem Substance ID:
24901704
Flavis number:
4.043
NACRES:
NA.21

biological source

synthetic

grade

Kosher

reg. compliance

FDA 21 CFR 117

assay

98%

refractive index

n20/D 1.5063 (lit.)

bp

214-216 °C (lit.)

density

0.94 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

organoleptic

green; musty; earthy; herbaceous

SMILES string

COc1cc(C)ccc1C(C)C

InChI

1S/C11H16O/c1-8(2)10-6-5-9(3)7-11(10)12-4/h5-8H,1-4H3

InChI key

LSQXNMXDFRRDSJ-UHFFFAOYSA-N

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General description

Natural occurrence: Coffee, french fried potato.

Biochem/physiol Actions

Taste at 1.0-5.0 ppm

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk_germany

WGK 3

flash_point_f

123.8 °F - closed cup

flash_point_c

51 °C - closed cup

ppe

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

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Certificates of Analysis (COA)

Lot/Batch Number
39796HJ
03115KH
02915KH
S43464
S43463

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Organoleptic Characteristics of Flavor Materials
Mosciano, G.
Perfumer & Flavorist, 28, 102-102 (2003)
Yongpeng Ma et al.
Journal of ethnopharmacology, 231, 386-393 (2018-11-25)
A folk herb Adenosma buchneroides found in the previous ethnobotanical investigation plays an important role as an insect repellent among the Aini people in southwest of China, but the active compounds responsible for repellent activity of the plant have not
Hatice Büşra Konuk et al.
Folia microbiologica, 65(4), 775-783 (2020-03-21)
Terpenoids, one of the major components of essential oils, are known to exert potent antifungal activity against yeast Saccharomyces cerevisiae. They have been the subject of a considerable number of investigations that uncovered extensive pharmacological properties, including antifungal and antibacterial
Elena Canellas et al.
Journal of mass spectrometry : JMS, 49(11), 1181-1190 (2014-11-15)
Pressure-sensitive adhesives (PSA) are used to manufacture labels that are applied directly on the food. These adhesives could contain not only intentionally added compounds (IAS) to the adhesive formula but also non-intentionally added substances (NIAS), due to the impurities from
E Canellas et al.
Food chemistry, 197(Pt A), 24-29 (2015-12-01)
Most fresh sausages are sold with a self-stick adhesive label stuck directly on it. Because of that, the substances in the adhesive could migrate into the fresh sausage. In this work, the multiple headspace-solid-phase microextraction technique has been optimized to

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