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Merck
CN

W239402

α,α-二甲基苯乙醇丁酸酯

≥95%, FCC, FG

别名:

(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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线性分子式:
CH3CH2CH2CO2C(CH3)2CH2C6H5
化学文摘社编号:
分子量:
220.31
FEMA Number:
2394
Council of Europe no.:
2084
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
9.232
EC Number:
233-221-8
NACRES:
NA.21
MDL number:
Organoleptic:
green; fruity; floral; herbaceous
Grade:
FG, Halal, Kosher
Biological source:
synthetic
Agency:
meets requirements for JECFA
Food allergen:
no known allergens
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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

biological source

synthetic

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

Quality Level

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

存储类别

10 - Combustible liquids

wgk

WGK 2

flash_point_f

242.6 °F - closed cup

flash_point_c

117 °C - closed cup

ppe

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


历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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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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