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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:
10094-34-5
Molecular Weight:
220.31
FEMA Number:
2394
EC Number:
233-221-8
Council of Europe no.:
2084
MDL number:
MFCD00027132
UNSPSC Code:
12164502
PubChem Substance ID:
24901043
Flavis number:
9.232
NACRES:
NA.21

biological source

synthetic

Quality Level

400

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
GHS07

Signal Word

Warning

Hazard Statements

H315,H412

Hazard Classifications

Aquatic Chronic 3 - Skin Irrit. 2

WGK

WGK 2

Flash Point(F)

closed cup

Flash Point(C)

closed cup

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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Fragrance material review on 1, 1-dimethyl-2-phenylethyl butyrate
McGinty D, et al.
Food And Chemical Toxicology, 50, S439-S442 (2012)

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