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19422

1-Butanol

analytical standard

Synonym(s):

n-Butanol, Butyl alcohol

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About This Item

Linear Formula:
CH3(CH2)3OH
CAS Number:
71-36-3
Molecular Weight:
74.12
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
329751872
EC Number:
200-751-6
Beilstein/REAXYS Number:
969148
MDL number:
MFCD00002964
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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

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

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

Application

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

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.

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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

Storage Class

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

Regulatory Information

危险化学品

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Certificates of Analysis (COA)

Lot/Batch Number
BCCF4848
BCCC4668
BCBV9039
BCBZ7887
BCBZ7726

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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)
Production of dimethylfuran for liquid fuels from biomass-derived carbohydrates.
Roman-Leshkov, Yuriy, et al.
Nature, 447.7147, 982-985 (2007)
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)
View All Related Papers

Global Trade Item Number

SKUGTIN
19422-5ML04061838761125