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Key Documents

W217913

Sigma-Aldrich

Isobutyl alcohol

greener alternative

natural, ≥99%, FCC, FG

Synonym(s):

2-Methyl-1-propanol, Isobutanol, Isobutyl alcohol

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About This Item

Linear Formula:
(CH3)2CHCH2OH
CAS Number:
Molecular Weight:
74.12
FEMA Number:
2179
Beilstein:
1730878
EC Number:
Council of Europe no.:
49
MDL number:
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
2.001
NACRES:
NA.21

grade

FG
Fragrance grade
Halal
Kosher
natural

Quality Level

Agency

follows IFRA guidelines
meets purity specifications of JECFA

reg. compliance

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

vapor density

2.55 (vs air)

vapor pressure

8 mmHg ( 20 °C)
8.8 mmHg ( 0 °C)

Assay

≥99%

form

liquid

autoignition temp.

801 °F

expl. lim.

10.6 %

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 1.396 (lit.)

bp

108 °C (lit.)
108 °C

mp

−108 °C (lit.)

density

0.803 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

Organoleptic

ethereal; wine-like

SMILES string

CC(C)CO

InChI

1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3

InChI key

ZXEKIIBDNHEJCQ-UHFFFAOYSA-N

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General description

Isobutyl alcohol is a water-soluble aliphatic alcohol that can be used as flavoring agent. It has been identified as one of the aroma/flavor compounds produced by Saccharomyces cerevisiae during the semiaerobic fermentation of grapes to form wine.
We are committed to bringing you greener alternative products, which adhere to one or more of The 12 Principles of Greener Chemistry. This product is Biobased and thus aligns with "Less Hazardous Chemical Syntheses" and "Use of Renewable Feedstocks".

Application


  • Volatiles from nutritional fungal symbiont influence the attraction of Anisandrus maiche (Coleoptera: Curculionidae) to ethanol-baited traps.: This investigation revealed that volatiles emitted by fungal symbionts impact the attraction of Anisandrus maiche to ethanol-baited traps. The study suggests potential applications in pest management strategies by utilizing isobutanol and other volatiles (Tobin et al., 2024).

Signal Word

Danger

Hazard Statements

Hazard Classifications

Eye Dam. 1 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3

Target Organs

Central nervous system, Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

82.4 °F - closed cup

Flash Point(C)

28 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Burdock GA
Encyclopedia of Food and Color Additives, 1, 1443-1444 (1997)
The effects of grape must fermentation conditions on volatile alcohols and esters formed by Saccharomyces cerevisiae
Mauricio JC, et al
Journal of the Science of Food and Agriculture, 75(2), 155-160 (1997)
Arul M Varman et al.
Applied and environmental microbiology, 79(3), 908-914 (2012-11-28)
Global warming and decreasing fossil fuel reserves have prompted great interest in the synthesis of advanced biofuels from renewable resources. In an effort to address these concerns, we performed metabolic engineering of the cyanobacterium Synechocystis sp. strain PCC 6803 to
Jan-Karl Guterl et al.
ChemSusChem, 5(11), 2165-2172 (2012-10-23)
The limited supply of fossil resources demands the development of renewable alternatives to petroleum-based products. Here, biobased higher alcohols such as isobutanol are versatile platform molecules for the synthesis of chemical commodities and fuels. Currently, their fermentation-based production is limited
Antonino Baez et al.
Applied microbiology and biotechnology, 90(5), 1681-1690 (2011-05-07)
Promising approaches to produce higher alcohols, e.g., isobutanol, using Escherichia coli have been developed with successful results. Here, we translated the isobutanol process from shake flasks to a 1-L bioreactor in order to characterize three E. coli strains. With in

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