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Merck
CN

W379601

Vanillyl butyl ether

greener alternative

natural (US), 97%, FG

Synonym(s):

4-(butoxymethyl)-2-methoxy-Phenol

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About This Item

Linear Formula:
4-(HO)C6H3-3-(OCH3)CH2O(CH2)3CH3
CAS Number:
82654-98-6
Molecular Weight:
210.27
FEMA Number:
3796
UNSPSC Code:
12164502
PubChem Substance ID:
329830655
Flavis number:
4.093
NACRES:
NA.21
MDL number:
MFCD00238529
Organoleptic:
creamy; sweet; vanilla
Grade:
FG, Fragrance grade, Halal, Kosher, natural (US)
Agency:
follows IFRA guidelines, meets purity specifications of JECFA
Food allergen:
no known allergens

Key Documents

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SMILES string

CCCCOCC1=CC(OC)=C(O)C=C1

InChI

1S/C12H18O3/c1-3-4-7-15-9-10-5-6-11(13)12(8-10)14-2/h5-6,8,13H,3-4,7,9H2,1-2H3

InChI key

VLDFMKOUUQYFGF-UHFFFAOYSA-N

grade

FG, Fragrance grade, Halal, Kosher, natural (US)

agency

follows IFRA guidelines, meets purity specifications of JECFA

reg. compliance

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

assay

97%

greener alternative product characteristics

Less Hazardous Chemical Syntheses
Use of Renewable Feedstocks
Learn more about the Principles of Green Chemistry.

sustainability

Greener Alternative Product

refractive index

n20/D 1.516 (lit.)

bp

241 °C (lit.)

solubility

soluble (Insoluble in water. Soluble in organic solvents, oils.)

density

1.057 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

greener alternative category

Aligned

organoleptic

creamy; sweet; vanilla

Quality Level

300

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General description

Vanillyl butyl ether is an alkoxy-substituted benzyl derivative mainly used as a flavoring agent.
We are committed to bringing you Greener Alternative Products, which adhere to one of the four categories of Greener Alternatives. This product is a Biobased product aligning with the principles of "Less Hazardous Chemical Syntheses" and "Use of Renewable Feedstocks" in Green Chemistry.

Application

This compound has a characteristic trigeminal, burning, hot pepper nature and can be used in spice flavors like pepper, cinnamon and ginger, as well as blends for some baked applications, including cookies. Other potential applications include flavoring for alcoholic and non-alcoholic beverages with herbal, berry, vanilla, cola, ginger ale, root beer, hot chocolate, chai, ice tea and mints.

Biochem/physiol Actions

Taste at 10-15%

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
SHBQ4627
SHBP1814
SHBP7380
SHBQ1016
SHBQ0569

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Adam TB, et al.
Adam TB, et al.
Food And Chemical Toxicology, 43(8), 1241-1271 (2005)
Organoleptic Characteristics of Flavor Materials
Michalski, J.
Perfumer & Flavorist, 39(4), 50-50 (2014)

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