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Merck

309435

3-Methyl-1-butanol

anhydrous, ≥99%

Synonym(s):

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:
12352001
NACRES:
NA.21
PubChem Substance ID:
57648492
EC Number:
204-633-5
Beilstein/REAXYS Number:
1718835
MDL number:
MFCD00002934
Assay:
≥99%
Grade:
anhydrous
Bp:
130 °C (lit.)
Vapor pressure:
2 mmHg ( 20 °C)

Key Documents

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Product Name

3-Methyl-1-butanol, anhydrous, ≥99%

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

anhydrous

vapor density

3 (vs air)

vapor pressure

2 mmHg ( 20 °C)

assay

≥99%

form

liquid

autoignition temp.

644 °F

expl. lim.

1.2-9 %, 100 °F

impurities

<0.003% water
<0.005% water (100 mL pkg)

evapn. residue

<0.0005%

refractive index

n20/D 1.406 (lit.)

pH

5.6 (20 °C, 25 g/L)

bp

130 °C (lit.)

mp

−117 °C (lit.)

density

0.809 g/mL at 25 °C (lit.)

Quality Level

100

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Application

3-Methyl-1-butanol may be used as a solvent in the preparation of ac-tetrahydro-β-naphthylamine from β-naphthylamine via reduction using sodium.

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

Group 4: Flammable liquids + Type 2 petroleums + Hazardous rank III + Water insoluble liquid

fsl

Substances Subject to be Indicated Names

ishl_indicated

Substances Subject to be Notified Names

ishl_notified

309435-2L:4548173133027 + 309435-900ML: + 309435-1L:4548173133010 + 309435-VAR: + 309435-BULK: + 309435-6X1L:4548173255347 + 309435-100ML:4548173133003

jan

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Certificates of Analysis (COA)

Lot/Batch Number
SHBP1176
SHBN4447
SHBN4240
SHBN1590
SHBM9165

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ac-Tetrahydro-?-naphthylamine
Waser EBH and Mollering H
Organic Syntheses, 9, 84-84 (1929)
Identification of aroma compounds in Chinese 'Yanghe Daqu'liquor by normal phase chromatography fractionation followed by gas chromatography [sol] olfactometry.
Fan W and Qian MC.
Flavour and Fragrance Journal, 21(2), 333-342 (2006)
Aroma perception of individual volatile compounds in fresh tomatoes (Lycopersicon esculentum, Mill.) as affected by the medium of evaluation.
Tandon KS, et al.
Postharvest biology and technology, 20(3), 261-268 (2000)
Michael R Connor et al.
Applied and environmental microbiology, 74(18), 5769-5775 (2008-08-05)
3-Methyl-1-butanol is a potential fuel additive or substitute. Previously this compound was identified in small quantities in yeast fermentation as one of the fusel alcohols. In this work, we engineered an Escherichia coli strain to produce 3-methyl-1-butanol from glucose via
Yan Xu et al.
Journal of agricultural and food chemistry, 55(8), 3051-3057 (2007-03-16)
The aroma-active compounds in two apple ciders were identified using gas chromatography-olfactometry (GC-O) and GC-mass spectrometry (MS) techniques. The volatile compounds were extracted using solvent-assisted flavor evaporation (SAFE) and headspace solid-phase microextraction (HS-SPME). On the basis of odor intensity, the
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