Skip to Content
Merck
CN

W217514

Isobutyl acetate

greener alternative

natural, ≥97%, FCC, FG

Synonym(s):

Acetic acid isobutyl ester

Sign In to View Organizational & Contract Pricing.

Select a Size

About This Item

Linear Formula:
CH3COOCH2CH(CH3)2
CAS Number:
110-19-0
Molecular Weight:
116.16
FEMA Number:
2175
Council of Europe no.:
195c
UNSPSC Code:
12164502
PubChem Substance ID:
24900889
Flavis number:
9.005
EC Number:
203-745-1
NACRES:
NA.21
MDL number:
MFCD00008932
Beilstein/REAXYS Number:
1741909
Organoleptic:
apple; banana; fruity; ethereal; sweet
Grade:
FG, Halal, Kosher, natural
Agency:
meets purity specifications of JECFA
Food allergen:
no known allergens

Key Documents

View All Documentation
Technical Service
Need help? Our team of experienced scientists is here for you.
Let Us Assist
Technical Service
Need help? Our team of experienced scientists is here for you.
Let Us Assist

Quality Level

300, 400

grade

FG, Halal, Kosher, natural

agency

meets purity specifications of JECFA

reg. compliance

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

vapor density

>4 (vs air)

vapor pressure

15 mmHg ( 20 °C)

assay

≥97%

form

liquid

autoignition temp.

793 °F

expl. lim.

10.5 %

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 1.39 (lit.)

pH

6.7 (20 °C, 5 g/L)

bp

115-117 °C (lit.)

mp

−99 °C (lit.)

density

0.867 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

greener alternative category

DfS-Developed

organoleptic

apple; banana; fruity; ethereal; sweet

SMILES string

CC(C)COC(C)=O

InChI

1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3

InChI key

GJRQTCIYDGXPES-UHFFFAOYSA-N

Looking for similar products? Visit Product Comparison Guide

General description

We are committed to bringing you greener alternative products, which adhere to one or more of the 12 Principles of Green Chemistry. This product is Biobased and thus aligns with "Less Hazardous Chemical Syntheses" and "Use of Renewable Feedstocks".
Natural occurrence: Apple, banana, cocoa, fig, grape, grape brandy, pear, pineapple, sherry, strawberry and wine.

Biochem/physiol Actions

Taste at 10 ppm

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Danger

hcodes

H225,H336

Hazard Classifications

Flam. Liq. 2 - STOT SE 3

target_organs

Central nervous system

Storage Class

3 - Flammable liquids

wgk

WGK 1

flash_point_f

71.6 °F - Pensky-Martens closed cup

flash_point_c

22 °C - Pensky-Martens closed cup

ppe

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

Regulatory Information

危险化学品

This item has

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
SHBT3881
SHBP2310
SHBP7614
SHBN5181
SHBL9366

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Burdock GA
Encyclopedia of Food and Color Additives, 1, 1441-1442 (1997)
Microbial production of scent and flavor compounds
Carroll AL, et al
Current Opinion in Biotechnology, 37, 8-15 (2016)
Burdock GA
Encyclopedia of Food and Color Additives, 1, 1441-1442 (1997)
Organoleptic Characteristics of Flavor Materials
Mosciano, G.
Perfumer & Flavorist, 28, 103-103 (2003)
Y H Yoon et al.
American Industrial Hygiene Association journal, 51(6), 319-325 (1990-06-01)
A previously developed theoretical model was applied to investigate contaminant breakthrough on charcoal sampling tubes. Associated with the model are two important theoretical parameters. These parameters are k' (a rate constant) and tau (the time required for 50% contaminant breakthrough).
View All Related Papers

Global Trade Item Number

SKUGTIN
W217514-1KG-K04061837876295
W217514-SAMPLE-K04061837876318
W217514-4KG-K04061837876301

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service