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Merck
CN

19420

正丁醇

puriss. p.a., ACS reagent, ≥99.5% (GC)

别名:

丁醇, 正丁醇

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线性分子式:
CH3(CH2)3OH
化学文摘社编号:
71-36-3
分子量:
74.12
EC Number:
200-751-6
UNSPSC Code:
12352001
PubChem Substance ID:
329751871
Beilstein/REAXYS Number:
969148
MDL number:
MFCD00002964

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vapor density

2.55 (vs air)

vapor pressure

5 (4 mmHg) at 20 °C hPa

grade

ACS reagent, puriss. p.a.

assay

≥99.5% (GC)

form

liquid

autoignition temp.

649 °F

expl. lim.

11.2 %

impurities

≤0.005% free acid (as CH3COOH), ≤0.01% aldehyde (as C3H7CHO), ≤0.1% water, <0.01% ketone (as CH3COCH3)

evapn. residue

≤0.003%

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.)

cation traces

Al: ≤0.5 mg/kg, Ba: ≤0.1 mg/kg, Bi: ≤0.1 mg/kg, Ca: ≤0.5 mg/kg, Cd: ≤0.05 mg/kg, Co: ≤0.02 mg/kg, Cr: ≤0.02 mg/kg, Cu: ≤0.02 mg/kg, Fe: ≤0.1 mg/kg, K: ≤0.5 mg/kg, Li: ≤0.1 mg/kg, Mg: ≤0.1 mg/kg, Mn: ≤0.02 mg/kg, Mo: ≤0.1 mg/kg, Na: ≤0.5 mg/kg, Ni: ≤0.02 mg/kg, Pb: ≤0.1 mg/kg, Sr: ≤0.1 mg/kg, Zn: ≤0.1 mg/kg

SMILES string

CCCCO

InChI

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

InChI key

LRHPLDYGYMQRHN-UHFFFAOYSA-N

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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

存储类别

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

法规信息

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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)
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
R W Wulkan et al.
The International journal of biochemistry, 18(11), 1045-1051 (1986-01-01)
The butanol extraction method of Morton (1950), a routine step in enzyme purification, is discussed with special reference to a hydrophobic form of alkaline phosphatase from human liver tissue. This form slowly precipitates from butanol-extracted liver tissue homogenates stored at
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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