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Merck
CN

W354600

5-Ethyl-2-methylpyridine

≥96%

Synonym(s):

5-Ethyl-2-picoline, NSC 1984

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About This Item

Empirical Formula (Hill Notation):
C8H11N
CAS Number:
104-90-5
Molecular Weight:
121.18
FEMA Number:
3546
Council of Europe no.:
11385
UNSPSC Code:
12164502
PubChem Substance ID:
24901774
Flavis number:
14.066
EC Number:
203-250-0
NACRES:
NA.21
MDL number:
MFCD00006344
Beilstein/REAXYS Number:
109269
Organoleptic:
nutty; earthy; roasted
Biological source:
synthetic
Food allergen:
no known allergens

Key Documents

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SMILES string

CCc1ccc(C)nc1

InChI key

NTSLROIKFLNUIJ-UHFFFAOYSA-N

InChI

1S/C8H11N/c1-3-8-5-4-7(2)9-6-8/h4-6H,3H2,1-2H3

biological source

synthetic

vapor density

4.2 (vs air)

assay

≥96%

refractive index

n20/D 1.497 (lit.)

bp

178 °C (lit.)

density

0.919 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

organoleptic

nutty; earthy; roasted

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pictograms

Skull and crossbonesCorrosion
GHS06,GHS05

signalword

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 4 Oral - Eye Dam. 1 - Skin Corr. 1B

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 1

ppe

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

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
STBJ4537
STBH8446
STBH7810
STBF9031V
STBB7402V

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Masaaki Fujikawa et al.
Bioorganic & medicinal chemistry, 15(11), 3756-3767 (2007-04-10)
We previously reported a classical quantitative structure-activity relationship (QSAR) equation for permeability coefficients (P(app-pampa)) by parallel artificial membrane permeation assay (PAMPA) of structurally diverse compounds with simple physicochemical parameters, hydrophobicity at a particular pH (logP(oct) and |pK(a)-pH|), hydrogen-accepting ability (SA(HA))

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