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Merck
CN

82093

1-Propanol

≥99.5% (GC)

Synonym(s):

Propyl alcohol

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About This Item

Linear Formula:
CH3CH2CH2OH
CAS Number:
71-23-8
Molecular Weight:
60.10
EC Number:
200-746-9
UNSPSC Code:
12190000
MDL number:
MFCD00002941
Beilstein/REAXYS Number:
1098242

Key Documents

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vapor density

2.1 (vs air)

vapor pressure

10 mmHg ( 147 °C), 14.9 mmHg ( 20 °C)

assay

≥99.5% (GC)

autoignition temp.

700 °F

expl. lim.

13.7 %

refractive index

n20/D 1.384 (lit.), n20/D 1.385

bp

97 °C (lit.)

mp

−127 °C (lit.)

density

0.804 g/mL at 25 °C (lit.)

λ

1 cm path, H2O reference

UV absorption

λ: 240 nm Amax: 0.1, λ: 260 nm Amax: 0.04, λ: 280 nm Amax: 0.02, λ: 300 nm Amax: 0.01

suitability

in accordance for luminescence, suitable for luminescence

SMILES string

CCCO

InChI

1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3

InChI key

BDERNNFJNOPAEC-UHFFFAOYSA-N

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signalword

Danger

Hazard Classifications

Eye Dam. 1 - Flam. Liq. 2 - STOT SE 3

target_organs

Central nervous system

Storage Class

3 - Flammable liquids

wgk

WGK 1

flash_point_f

71.6 °F - closed cup

flash_point_c

22 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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Michael H Abraham et al.
European journal of medicinal chemistry, 43(3), 478-485 (2007-06-05)
Values of in vitro gas to lung partition coefficients, K(lung), of VOCs have been collected from the literature. For 44 VOCs, application of the Abraham solvation equation to log K(lung) yielded a correlation with R(2)=0.968 and S.D.=0.25 log units. Combination
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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