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Merck
CN

437603

Sigma-Aldrich

1-Butanol

ACS reagent, ≥99.4%

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
Beilstein:
969148
EC Number:
200-751-6
MDL number:
MFCD00002964
UNSPSC Code:
12352001
PubChem Substance ID:
329756390

Key Documents

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grade

ACS reagent

Quality Level

200

vapor density

2.55 (vs air)

vapor pressure

5.5 mmHg ( 20 °C)

Assay

≥99.4%

autoignition temp.

649 °F

expl. lim.

11.2 %

impurities

≤0.0008 meq/g Titr. Acid
≤0.01% butyraldehyde
≤0.1% water
≤0.2% butyl ether

evapn. residue

≤0.005%

color

APHA: ≤10

refractive index

n20/D 1.399 (lit.)

bp

116-118 °C (lit.)
117.7 °C

mp

−90 °C (lit.)

density

0.81 g/mL at 25 °C (lit.)

SMILES string

CCCCO

InChI

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

InChI key

LRHPLDYGYMQRHN-UHFFFAOYSA-N

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Packaging

Packaged in poly-coated bottles

Signal Word

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 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

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Alfonso Pérez-Garrido et al.
Bioorganic & medicinal chemistry, 17(2), 896-904 (2008-12-06)
This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoretical molecular descriptors, calculated solely from the molecular structure of the compounds under investigation
Giulia Caron et al.
Journal of medicinal chemistry, 48(9), 3269-3279 (2005-04-29)
Growing interest in the use of both the logarithm of the partition coefficient of the neutral species in the alkane/water system (log P(N)(alk)) and the difference between log P(N)(oct) (the logarithm of the partition coefficient of the neutral species in

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