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Key Documents

W267201

Sigma-Aldrich

4-(4-Methoxyphenyl)-2-butanone

≥98%, FCC, FG

Synonym(s):

raspberry ketone methyl ether, Anisylacetone

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About This Item

Linear Formula:
CH3OC6H4CH2CH2COCH3
CAS Number:
Molecular Weight:
178.23
FEMA Number:
2672
Beilstein:
1869592
EC Number:
Council of Europe no.:
163
MDL number:
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
7.029
NACRES:
NA.21

biological source

synthetic

Quality Level

grade

FG
Fragrance grade
Halal
Kosher

Agency

follows IFRA guidelines
meets purity specifications of JECFA

reg. compliance

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

Assay

≥98%

refractive index

n20/D 1.519 (lit.)

bp

152-153 °C/15 mmHg (lit.)

mp

8 °C (lit.)

density

1.046 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

woody; fruity; raspberry; sweet

SMILES string

COc1ccc(CCC(C)=O)cc1

InChI

1S/C11H14O2/c1-9(12)3-4-10-5-7-11(13-2)8-6-10/h5-8H,3-4H2,1-2H3

InChI key

PCBSXBYCASFXTM-UHFFFAOYSA-N

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Related Categories

Storage Class Code

10 - Combustible liquids

WGK

WGK 2

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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