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W267020

Sigma-Aldrich

p-Anisaldehyde

natural, FG

Synonym(s):

4-Methoxybenzaldehyde, Aubépine

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About This Item

Linear Formula:
CH3OC6H4CHO
CAS Number:
123-11-5
Molecular Weight:
136.15
FEMA Number:
2670
Beilstein:
471382
EC Number:
204-602-6
MDL number:
MFCD00003385
UNSPSC Code:
12164502
PubChem Substance ID:
329830516
Flavis number:
5.015
NACRES:
NA.21

grade

FG
Halal
Kosher
natural

Quality Level

400

Agency

meets purity specifications of JECFA

reg. compliance

EU Regulation 1334/2008 & 178/2002
FDA 21 CFR 117

vapor density

4.7 (vs air)

form

liquid

refractive index

n20/D 1.573 (lit.)

bp

248 °C (lit.)

mp

−1 °C (lit.)

density

1.119 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

Organoleptic

anise; cherry; creamy; floral; balsamic; sweet; vanilla

SMILES string

[H]C(=O)c1ccc(OC)cc1

InChI

1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3

InChI key

ZRSNZINYAWTAHE-UHFFFAOYSA-N

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Other Notes

Natural occurrence: Vanilla, fennel, star anise, cranberry, black currant, cinnamon, basil.

Pictograms

Health hazard
GHS08

Signal Word

Warning

Hazard Statements

H361fd,H412

Hazard Classifications

Aquatic Chronic 3 - Repr. 2

Storage Class Code

10 - Combustible liquids

WGK

WGK 1

Flash Point(F)

240.8 °F - closed cup

Flash Point(C)

116 °C - closed cup

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Certificates of Analysis (COA)

Lot/Batch Number
SHBS2688
SHBR3550
SHBR7749
SHBQ7109
SHBN1985

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Organic & biomolecular chemistry, 13(21), 5955-5963 (2015-05-01)
Copper-catalyzed 6-endo cyclization of N-propargylic β-enaminocarbonyls was developed for the synthesis of oxidation-labile 1,6-dihydropyridines. This synthetic method allows flexible and regio-defined assembly of various substituents at the N1, C2, C3, C4, and C6 positions of 1,6-dihydropyridines under mild conditions.
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