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Supelco

1-Butanol

analytical standard

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Synonym(s):
n-Butanol, Butyl alcohol
Linear Formula:
CH3(CH2)3OH
CAS Number:
71-36-3
Molecular Weight:
74.12
Beilstein:
969148
EC Number:
200-751-6
MDL number:
MFCD00002964
PubChem Substance ID:
329751872
NACRES:
NA.24

grade

analytical standard

Quality Level

100

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

SMILES string

CCCCO

InChI

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

InChI key

LRHPLDYGYMQRHN-UHFFFAOYSA-N

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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.

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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.

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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.

Signal Word

Danger

Hazard Classifications

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

Storage Class Code

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

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

危险化学品

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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)
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)
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
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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Butyl methyl ether; Acetic acid; 2-Butanone; Ethyl acetate; Tetrahydrofuran; 1-Butanol; Isopropyl acetate; Heptane; Propyl acetate; 3-Methylbutanol; 4-Methyl-2-pentanone; Isobutyl acetate; Butyl acetate; Dimethyl sulfoxide; Anisole; Cumene

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