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Merck

19422

1-Butanol

analytical standard

Sinónimos:

n-Butanol, Butyl alcohol

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About This Item

Fórmula lineal:
CH3(CH2)3OH
Número CAS:
71-36-3
Peso molecular:
74.12
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
329751872
EC Number:
200-751-6
Beilstein/REAXYS Number:
969148
MDL number:
MFCD00002964

Nombre del producto

1-Butanol, analytical standard

InChI key

LRHPLDYGYMQRHN-UHFFFAOYSA-N

InChI

1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3

SMILES string

CCCCO

grade

analytical standard

vapor density

2.55 (vs air)

vapor pressure

5 (4 mmHg) at 20 °C hPa

assay

≥99.9% (GC)

autoignition temp.

649 °F

shelf life

limited shelf life, expiry date on the label

expl. lim.

11.2 %

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

color

colorless

refractive index

n20/D 1.399 (lit.)
n20/D 1.399

bp

116-118 °C (lit.)

mp

−90 °C (lit.)

density

0.81 g/mL at 25 °C (lit.)

application(s)

cleaning products
cosmetics
environmental
flavors and fragrances
food and beverages
personal care

format

neat

Quality Level

100

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Categorías relacionadas

Application

It was used as a constituent in preparation of internal standard for analysis of fat-soluble vitamins using micellar electrokinetic chromatography (MEKC).
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

General description

Butanol, alcohol with higher energy density, lower vapour pressure and low hygroscopicity. 1-Butanol is a potential fuel substitute to gasoline. It is also a feedstock used to produce chemicals. It is produced via two pathways, the synthetic 2-ketoacid pathway and CoA-dependent pathway. It can also be produced by fermentation of biomass-derived carbohydrates.
This substance is listed on the positive list of the EU regulation 10/2011 for plastics intended to come into contact with food.

Find all available reference materials for compounds listed in 10/2011 here

Other Notes

Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial.

signalword

Danger

Hazard Classifications

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

target_organs

Central nervous system, Respiratory system

Clase de almacenamiento

3 - Flammable liquids

wgk

WGK 1

flash_point_f

95.0 °F - Pensky-Martens closed cup

flash_point_c

35 °C - Pensky-Martens closed cup

ppe

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

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Certificados de análisis (COA)

Lot/Batch Number
BCCN2319
BCCL7118
BCCJ9614
BCCH1051
BCCF4848

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Encuentre la documentación para los productos que ha comprado recientemente en la Biblioteca de documentos.

Visite la Librería de documentos

S Pedersen-Bjergaard et al.
Journal of chromatography. A, 876(1-2), 201-211 (2000-05-24)
Microemulsion electrokinetic chromatography (MEEKC) was carried out in a pH 2.5 phosphate buffer to effectively suppress the electroosmotic flow (EOF). With 66.6% (w/w) 25 mM phosphate buffer pH 2.5, 20.0% (w/w) 2-propanol, 6.6% (w/w) 1-butanol, 6.0% (w/w) sodium lauryl sulphate
Metabolic engineering of cyanobacteria for 1-butanol production from carbon dioxide.
Lan, Ethan I., and James C. Liao.
Metabolic engineering, 13.4, 353-363 (2011)
Production of dimethylfuran for liquid fuels from biomass-derived carbohydrates.
Roman-Leshkov, Yuriy, et al.
Nature, 447.7147, 982-985 (2007)
Metabolic engineering of< i> Escherichia coli</i> for 1-butanol and 1-propanol production via the keto-acid pathways.
Shen, Claire R., and James C. Liao.
Metabolic engineering, 10.6, 312-320 (2008)
Prasenjit Seal et al.
The journal of physical chemistry. A, 117(2), 275-282 (2012-12-19)
In the present work, we study the H atom abstraction reactions by hydroxyl radical at all five sites of 1-butanol. Multistructural variational transition state theory (MS-VTST) was employed to estimate the five thermal rate constants. MS-VTST utilizes a multifaceted dividing
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