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Merck
CN

154679

1-Butanol

spectrophotometric grade, 99.5%

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
EC Number:
200-751-6
UNSPSC Code:
12352001
PubChem Substance ID:
57647443
Beilstein/REAXYS Number:
969148
MDL number:
MFCD00002964
Assay:
99.5%
Grade:
spectrophotometric grade
Technique(s):
UV/Vis spectroscopy: suitable
Bp:
116-118 °C (lit.)
Vapor pressure:
5 (4 mmHg) at 20 °C hPa

Key Documents

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grade

spectrophotometric grade

vapor density

2.55 (vs air)

vapor pressure

5 (4 mmHg) at 20 °C hPa

assay

99.5%

form

liquid

autoignition temp.

649 °F

expl. lim.

11.2 %

technique(s)

UV/Vis spectroscopy: suitable

impurities

≤0.1% water (Karl Fischer)

evapn. residue

≤0.0005%

color

APHA: ≤10

refractive index

n20/D 1.399 (lit.)

bp

116-118 °C (lit.)

mp

−90 °C (lit.)

density

0.81 g/mL at 25 °C (lit.)

λ

H2O reference

UV absorption

λ: 220 nm Amax: 1.0, λ: 225 nm Amax: 0.50, λ: 240 nm Amax: 0.10, λ: 260 nm Amax: 0.04, λ: 280-400 nm Amax: 0.01

SMILES string

CCCCO

InChI

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

InChI key

LRHPLDYGYMQRHN-UHFFFAOYSA-N

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Other Notes

A -D suffix exists for administrative purposes only.
All -D packages are 100% the same product, same quality, same specification as the package sizes previously sold without a -D.

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

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

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Certificates of Analysis (COA)

Lot/Batch Number
30796CPV
30796CP
46596AP
09396AK
78297KJ

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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
Peng Zhang et al.
The journal of physical chemistry. A, 117(9), 1890-1906 (2013-02-12)
The decomposition kinetics of the hydroxybutyl and butoxy radicals (C4H9O) arising via H abstraction from n-butanol were studied theoretically with ab initio transition-state-theory-based master equation analyses. Stationary points on the C4H9O potential energy surface were calculated at either the RQCISD(T)/CBS//B3LYP/6-311++G(d,p)
Jie Yao et al.
Nature communications, 5, 5670-5670 (2014-11-29)
Layer-structured two-dimensional nanomaterials are a family of materials with strong covalent bonding within layers and weak van der Waals interaction between layers, whose vertical thickness can be thinned down to few nanometer and even single atomic layer. Bismuth chalcogenides are
Joel G Davis et al.
Nature, 491(7425), 582-585 (2012-11-23)
Hydrophobic hydration is considered to have a key role in biological processes ranging from membrane formation to protein folding and ligand binding. Historically, hydrophobic hydration shells were thought to resemble solid clathrate hydrates, with solutes surrounded by polyhedral cages composed
A L Gainer et al.
Clinica chimica acta; international journal of clinical chemistry, 123(1-2), 11-17 (1982-08-04)
Neutrophils were isolated in good yield from fresh whole blood and their alkaline phosphatase was solubilized. Inhibitor studies using L-phenylalanylglycylglycine, L-phenylalanine and L-homoarginine revealed a distinct pattern of inhibition for each of the crude or purified preparations of the human
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