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3 Methylpentane 1 5 Diol

2-Methyl-2,iv-pentanediol
2-Methyl-2,4-pentanediol.png
Names
Preferred IUPAC name

2-Methylpentane-2,4-diol

Other names

2-Methyl-ii,4-pentanediol
Hexylene glycol
Diolane
1,1,3-Trimethyltrimethylenediol
2,4-Dihydroxy-two-methylpentane
Isol

Identifiers

CAS Number

  • 107-41-5 check Y
  • 99210-90-9 (R)☒ N
  • 99210-91-0 (S)☒ N

3D model (JSmol)

  • Interactive image
Abbreviations MPD
ChEBI
  • CHEBI:62995 ☒ Northward
ChEMBL
  • ChEMBL2104293 ☒ N
ChemSpider
  • 7582 check Y
ECHA InfoCard 100.003.173 Edit this at Wikidata

PubChem CID

  • 7870
UNII
  • KEH0A3F75J check Y

CompTox Dashboard (EPA)

  • DTXSID5021885 Edit this at Wikidata

InChI

  • InChI=1S/C6H14O2/c1-5(7)4-six(2,3)8/h5,7-8H,4H2,1-3H3☒ Due north

    Cardinal: SVTBMSDMJJWYQN-UHFFFAOYSA-N☒ N

SMILES

  • CC(CC(C)(C)O)O

Properties

Chemic formula

C 6 H 14 O 2
Tooth mass 118.176 chiliad·mol−1
Appearance colourless liquid
Smell balmy, sweetish[1]
Density 0.92 1000/mL
Melting point −forty °C (−40 °F; 233 K)
Boiling point 197 °C (387 °F; 470 Thousand)

Solubility in water

miscible[ane]
Vapor pressure 0.05 mmHg (20°C)[1]
Hazards
Flash bespeak 98.iii °C (208.nine °F; 371.4 K)[two]
Explosive limits 1.3%-7.iv%[1]
NIOSH (US health exposure limits):

PEL (Permissible)

none[one]

REL (Recommended)

C 25 ppm (125 mg/miii)[1]

IDLH (Immediate danger)

Northward.D.[ane]

Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).

☒ Nverify (what is check Y ☒ Northward  ?)

Infobox references

Chemic chemical compound

2-Methyl-2,4-pentanediol (MPD) is an organic compound with the formula (CH3)2C(OH)CHtwoCH(OH)CHiii. This colourless liquid is a chiral diol. It is produced industrially from diacetone alcohol by hydrogenation.[three] Full European and U.s. product was 15000 tonnes in 2000.[4]

ii-Methyl-2,4-pentanediol exists equally ii enantiomers, (ivR)-(-) and (4S)-(+). In the Protein Information Depository financial institution, the iii-letter of the alphabet lawmaking "MPD" refers to the (Southward)-(-) enantiomer, while "MRD" is used to refer to the (R)-(+) version. Commercial products labeled "MPD" are usually the racemate,[five] also sold as and referred to every bit "hexylene glycol".[half dozen] [7]

Uses [edit]

ii-Methyl-2,4-pentanediol exhibits both surfactant and emulsion-stabilizing properties. Its relatively high viscosity and depression volatility are advantageous in coatings, cleansers, cosmetics, solvents, and hydraulic fluids.[eight] Although it is an irritant at college concentrations, it is sometimes used in pare care, hair intendance, soap, and eye corrective products at concentrations ranging from 0.one% - 25%.[9] [10]

It is biodegradable and unlikely to accumulate in the environs.[11]

Laboratory uses [edit]

In the laboratory information technology is a common precipitant and cryoprotectant in protein crystallography.[12] Since hexylene glycol is uniform with polar and nonpolar molecules, it competes with the solvent in a crystallography experiment causing the protein to precipitate.[13] Hexylene glycol is so effective in protein crystallography because its amphiphilic nature and small-scale, flexible structure allows it to bind to many different locations on a protein secondary structure including alpha helices and beta sheets.[14] When hexylene glycol binds to these different locations, water is removed and the poly peptide crystals anneal, which prevents ice germination during cryocrystallography techniques.[xv] Incorporation of hexylene glycol into solution has been known to improve the resolution of X-ray diffraction making protein structures easily identifiable.[xvi] Additionally hexylene glycol is not a strong denaturing agent and thus does not significantly change the structure of a protein during the crystallography procedure.[xiv]

Like related diols, information technology forms borate esters.

References [edit]

  1. ^ a b c d due east f grand NIOSH Pocket Guide to Chemical Hazards. "#0328". National Institute for Occupational Condom and Health (NIOSH).
  2. ^ CDC - NIOSH Pocket Guide to Chemical Hazards
  3. ^ Stylianos Sifniades, Alan B. Levy, "Acetone" in Ullmann's Encyclopedia of Industrial Chemical science, Wiley-VCH, Weinheim, 2005. doi:10.1002/14356007.a01_079.pub3
  4. ^ SIDS Initial Assessment Report for SIAM 13: Hexylene Glycol
  5. ^ MPD at Hampton Research , MPD Production Folio
  6. ^ Hexylene Glycol at Sigma Aldrich , Hexylene Glycol Product Page
  7. ^ Hexylene Glycol at Jena Bioscience, Hexylene Glycol Product Page
  8. ^ Chemicalland21.com Hexylene glycol
  9. ^ Kinnunen, T. (1991). "Antibacterial and antifungal properties of propylene glycol, and 1,iii-butylene glycol in vitro". Acta Dermato-Venereologica.
  10. ^ R. Rietschel; J. Fowler; A. Fisher Hexylene Glycol. In Fisher'south Contact Dermatitis; Holmes, Grand., Ed.; BC Decker Inc.: Hamilton,Ontario, 2008; pp 290
  11. ^ Rhodia Hexylene glycol GPS Condom Summary. 2012.
  12. ^ Crystallization Techniques: Additives, Enrico Stura, University of Glasgow
  13. ^ Dumetz, A. (2009). "Comparative Effects of Common salt, Organic and Polymer Precipitants on Protein Phase Behavior and Implications for Vapor Improvidence". J. Cryst. Growth. 9 (2): 682–691. doi:10.1021/cg700956b.
  14. ^ a b Anand, K (2002). "An overview on 2-methyl-ii,four-pentanediol in crystallization and in crystals of biological macromolecules". Acta Crystallogr. 58 (10): 1722–1728. doi:ten.1107/s0907444902014610. PMC7161645. PMID 12351894.
  15. ^ Viatcheslav, Berejnov (2006). "Thornea Effects of cryoprotectant concentration and cooling rate on vitrification of aqueous solutions". J. Appl. Crystallogr.
  16. ^ Vera, L (2006). "Strategies for Protein Crystallography". Cryst. Growth Des.

3 Methylpentane 1 5 Diol,

Source: https://en.wikipedia.org/wiki/2-Methyl-2,4-pentanediol

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