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Key Documents

68338

Sigma-Aldrich

Hexylene glycol

BioUltra, ≥99.0% (GC)

Synonym(s):

(±)-2-Methyl-2,4-pentanediol, MPD

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About This Item

Linear Formula:
CH3CH(OH)CH2C(CH3)2OH
CAS Number:
Molecular Weight:
118.17
Beilstein/REAXYS Number:
1098298
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.26

vapor density

4.1 (vs air)

vapor pressure

0.02 mmHg ( 20 °C)

product line

BioUltra

assay

≥99.0% (GC)

form

liquid (or viscous liquid)

expl. lim.

7.4 %

impurities

insoluble matter, passes filter test

refractive index

n20/D 1.427 (lit.)
n20/D 1.428

pH

6-8 (25 °C, 1 M in H2O)

bp

197 °C (lit.)

mp

−40 °C (lit.)

solubility

H2O: 1 M at 20 °C, clear, colorless

density

0.925 g/mL at 25 °C (lit.)

anion traces

chloride (Cl-): ≤50 mg/kg
sulfate (SO42-): ≤50 mg/kg

cation traces

Al: ≤1 mg/kg
As: ≤0.1 mg/kg
Ba: ≤1 mg/kg
Bi: ≤1 mg/kg
Ca: ≤5 mg/kg
Cd: ≤1 mg/kg
Co: ≤1 mg/kg
Cr: ≤1 mg/kg
Cu: ≤1 mg/kg
Fe: ≤1 mg/kg
K: ≤20 mg/kg
Li: ≤1 mg/kg
Mg: ≤1 mg/kg
Mn: ≤1 mg/kg
Mo: ≤1 mg/kg
Na: ≤20 mg/kg
Ni: ≤1 mg/kg
Pb: ≤1 mg/kg
Sr: ≤1 mg/kg
Zn: ≤1 mg/kg

λ

1 M in H2O

UV absorption

λ: 260 nm Amax: 0.01
λ: 280 nm Amax: 0.01

SMILES string

CC(O)CC(C)(C)O

InChI

1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3

InChI key

SVTBMSDMJJWYQN-UHFFFAOYSA-N

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Other Notes

Used in the crystallisation of proteins

pictograms

Health hazardExclamation mark

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Repr. 2 - Skin Irrit. 2

Storage Class

10 - Combustible liquids

wgk_germany

WGK 1

flash_point_f

201.2 °F - closed cup

flash_point_c

94 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter


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A.M. Brzozowski et al.
Journal of Applied Crystallography, 34, 97-97 (2001)
Kanchan Anand et al.
Acta crystallographica. Section D, Biological crystallography, 58(Pt 10 Pt 1), 1722-1728 (2002-09-28)
2-Methyl-2,4-pentanediol (MPD) is the most popular chemical additive used for crystallization of biological macromolecules. However, the mechanism of its action on proteins in aqueous solution is not well understood. We have carried out a systematic analysis of the conformation and
Catherine Michaux et al.
BMC structural biology, 8, 29-29 (2008-06-05)
Recently, we reported a unique approach to preserve the activity of some proteins in the presence of the denaturing agent, Sodium Dodecyl Sulfate (SDS). This was made possible by addition of the amphipathic solvent 2,4-Methyl-2-PentaneDiol (MPD), used as protecting but
Asha R Johal et al.
Acta crystallographica. Section D, Biological crystallography, 68(Pt 3), 268-276 (2012-02-22)
The human ABO(H) A and B blood group glycosyltransferases GTA and GTB differ by only four amino acids, yet this small dissimilarity is responsible for significant differences in biosynthesis, kinetics and structure. Like other glycosyltransferases, these two enzymes have been
Mrignayani Kotecha et al.
Magnetic resonance in chemistry : MRC, 45 Suppl 1, S221-S230 (2007-12-25)
The use of a low-power two-pulse phase modulation (TPPM) sequence is proposed for efficient (1)H radio frequency (rf) decoupling in high-resolution (13)C solid-state NMR (SSNMR) under fast MAS conditions. Decoupling efficiency for different low-power decoupling sequences such as continuous-wave (cw)

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