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W239402

Sigma-Aldrich

α,α-Dimethylphenethyl butyrate

≥95%, FCC, FG

Synonym(s):

(1-cyclohexyl-2-methylpropan-2-yl) butanoate, Benzyl dimethyl carbinol butyrate, Benzyl dimethyl carbinyl butyrate, Dimethyl benzyl carbinyl butyrate, dmbc butyrate

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About This Item

Linear Formula:
CH3CH2CH2CO2C(CH3)2CH2C6H5
CAS Number:
Molecular Weight:
220.31
FEMA Number:
2394
EC Number:
Council of Europe no.:
2084
MDL number:
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
9.232
NACRES:
NA.21

biological source

synthetic

Quality Level

grade

FG
Halal
Kosher

agency

meets requirements for JECFA

reg. compliance

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

assay

≥95%

refractive index

n20/D 1.4839 (lit.)

bp

237-255 °C (lit.)

density

0.969 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; fruity; floral; herbaceous

SMILES string

CCCC(=O)OC(C)(C)Cc1ccccc1

InChI

1S/C14H20O2/c1-4-8-13(15)16-14(2,3)11-12-9-6-5-7-10-12/h5-7,9-10H,4,8,11H2,1-3H3

InChI key

SHSGYHAHMQLYRB-UHFFFAOYSA-N

Related Categories

General description

α,α-Dimethylphenethyl butyrate belongs to the fragrance structural group aryl alkyl alcohol simple acid esters (AAASAE). The compound has a mild, herbaceous odor. It is a fragrance ingredient used in various non-cosmetic products, such as detergents, household cleansers, and shampoos. It is also found in decorative cosmetics, toiletries, and shampoos.

pictograms

Exclamation mark

signalword

Warning

hcodes

Hazard Classifications

Aquatic Chronic 3 - Skin Irrit. 2

wgk_germany

WGK 2

flash_point_f

closed cup

flash_point_c

closed cup

ppe

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


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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