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Merck
CN

58450

2-Methyl-1-propanol

puriss. p.a., ACS reagent, ≥99.5% (GC)

Synonym(s):

Isobutanol, Isobutyl alcohol

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About This Item

Linear Formula:
(CH3)2CHCH2OH
CAS Number:
Molecular Weight:
74.12
EC Number:
201-148-0
UNSPSC Code:
12352001
PubChem Substance ID:
Beilstein/REAXYS Number:
1730878
MDL number:
Assay:
≥99.5% (GC)
Technique(s):
GC/GC: suitable
Vapor pressure:
8 mmHg ( 20 °C), 8.8 mmHg ( 0 °C)
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InChI key

ZXEKIIBDNHEJCQ-UHFFFAOYSA-N

InChI

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

SMILES string

CC(C)CO

grade

ACS reagent, puriss. p.a.

vapor density

2.55 (vs air)

vapor pressure

8 mmHg ( 20 °C), 8.8 mmHg ( 0 °C)

assay

≥99.5% (GC)

autoignition temp.

801 °F

expl. lim.

10.6 %

technique(s)

GC/GC: suitable

impurities

≤0.001% peroxides (as H2O2), ≤0.0044% free acid (as C3H7COOH), ≤0.01% aldehyde (as C3H7CHO), ≤0.1% water, <0.02% ketone (as C2H5COCH3)

evapn. residue

≤0.001%

mp

−108 °C (lit.)

density

0.803 g/mL at 25 °C (lit.)

cation traces

Al: ≤0.5 mg/kg, Ba: ≤0.1 mg/kg, Bi: ≤0.1 mg/kg, Ca: ≤0.5 mg/kg, Cd: ≤0.05 mg/kg, Co: ≤0.02 mg/kg, Cr: ≤0.02 mg/kg, Cu: ≤0.02 mg/kg, Fe: ≤0.1 mg/kg, K: ≤0.5 mg/kg, Li: ≤0.1 mg/kg, Mg: ≤0.1 mg/kg, Mn: ≤0.02 mg/kg, Mo: ≤0.1 mg/kg, Na: ≤1.0 mg/kg, Ni: ≤0.02 mg/kg, Pb: ≤0.1 mg/kg, Sr: ≤0.1 mg/kg, Zn: ≤0.1 mg/kg

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Danger

Hazard Classifications

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

target_organs

Central nervous system, Respiratory system

Storage Class

3 - Flammable liquids

wgk

WGK 1

flash_point_f

82.4 °F - closed cup

flash_point_c

28 °C - closed cup

ppe

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

Regulatory Information

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Determination of inorganic phosphate.
Martin JB and Doty DM.
Analytical Chemistry, 21(8), 965-967 (1949)
Diffusion in the Three Component Liquid System Methyl Alcohol-n-Propyl Alcohol-Isobutyl Alcohol.
Shuck FO and Toor HL.
The Journal of Physical Chemistry, 67(3), 540-545 (1963)
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
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
Pedram Fatehi
Biotechnology progress, 29(2), 297-310 (2013-01-09)
In this review, the recent advancements and technical challenges associated with the production of ethanol, butanol, and isobutanol via bioconversion routes from celluloses of woody materials are reviewed. Physicochemical processes, e.g. steam explosion, seem to be the most viable process

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