Merck
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W217913

Sigma-Aldrich

Isobutyl alcohol

natural, ≥99%, FCC, FG

Synonym(s):
2-Methyl-1-propanol, Isobutanol, Isobutyl alcohol
Linear Formula:
(CH3)2CHCH2OH
CAS Number:
Molecular Weight:
74.12
FEMA Number:
2179
Beilstein:
1730878
EC Number:
Council of Europe no.:
49
MDL number:
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 %

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

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.[65] It has been identified as one of the aroma/flavor compounds produced by Saccharomyces cerevisiae during the semiaerobic fermentation of grapes to form wine.[63]

Packaging

1 kg in glass bottle
8 kg in steel drum

Signal Word

Danger

Hazard Classifications

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

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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