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Merck

59092

3-Methylbutanol

analytical standard

Synonym(s):

3-Methyl-1-butanol, Isoamyl alcohol, Isopentyl alcohol

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About This Item

Linear Formula:
(CH3)2CHCH2CH2OH
CAS Number:
123-51-3
Molecular Weight:
88.15
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
329758575
EC Number:
204-633-5
Beilstein/REAXYS Number:
1718835
MDL number:
MFCD00002934

Key Documents

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Product Name

3-Methylbutanol, analytical standard

InChI key

PHTQWCKDNZKARW-UHFFFAOYSA-N

InChI

1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3

SMILES string

CC(C)CCO

grade

analytical standard

assay

≥99.8% (GC)

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

impurities

≤0.1% 2-methylbutanol (remarks in GC)

refractive index

n20/D 1.407

bp

131-132 °C

density

0.809 g/mL at 20 °C (lit.)

application(s)

environmental

format

neat

Quality Level

100

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Application

3-Methylbutanol may also be used as an analytical reference standard for the quantification of the analyte in liquor samples and milk samples using chromatography techniques.
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

General description

3-Methylbutanol belongs to the group of high chain alcohols produced as metabolites from the degradation of amino acids via keto acids. It is a volatile flavor compound, highly present in alcoholic beverages.

signalword

Danger

Hazard Classifications

Acute Tox. 4 Inhalation - Eye Dam. 1 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk

WGK 1

flash_point_f

110.3 °F - closed cup

flash_point_c

43.5 °C - closed cup

ppe

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

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Certificates of Analysis (COA)

Lot/Batch Number
BCCF4750
BCCD9891
BCBX0141
BCBR4192V
BCBR9894V

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Aroma perception of individual volatile compounds in fresh tomatoes (Lycopersicon esculentum, Mill.) as affected by the medium of evaluation
Tandon.S.K, et al.
Journal of Solution Chemistry, 20(3), 261-268 (2000)
The
Wine Chemistry and Biochemistry, 88(11), 3764-3772 (2008)
Flavours and Fragrances: Chemistry, Bioprocessing and Sustainability, 88(11), 3764-3772 (2007)
Quantitative determination of thermally derived off-flavor compounds in milk using solid-phase microextraction and gas chromatography
Vazquez-Landaverde A.P, et al.
Journal of Agricultural and Food Chemistry, 88(11), 3764-3772 (2005)
Mary J Dunlop et al.
Molecular systems biology, 7, 487-487 (2011-05-11)
Many compounds being considered as candidates for advanced biofuels are toxic to microorganisms. This introduces an undesirable trade-off when engineering metabolic pathways for biofuel production because the engineered microbes must balance production against survival. Cellular export systems, such as efflux
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