Molecular Weight of Hexylene glycol (C6H14O2)

Molecular Weight Description

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Additional Information for Identifying Hexylene glycol Molecule

• Structure Data File (SDF/MOL File) of Hexylene glycol

  The structure data file (SDF/MOL File) of Hexylene glycol is available for download in the SDF page of Hexylene glycol, which provides the information on atoms, bonds, connectivity and coordinates of Hexylene glycol. The Hexylene glycol structure data file can be imported to most of the chemistry-related software, providing three-dimensional visualization and further analysis.

• Chemical structure of Hexylene glycol

  The molecular structure image of Hexylene glycol is available in chemical structure page of Hexylene glycol, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in Hexylene glycol and the chemical bonds that hold the atoms together.

• Chemical formula of Hexylene glycol

  The molecular formula of Hexylene glycol is given in chemical formula page of Hexylene glycol, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

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• InChI (IUPAC International Chemical Identifier) information of Hexylene glycol

  In addition to the molecular weight information, the structural information of Hexylene glycol in a textual expression is available via InChi. The full standard InChI of Hexylene glycol is given below:

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

  It can provide a way to encode the molecular information of Hexylene glycol to facilitate the search for the compound information in databases and on the web.

  The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of Hexylene glycol is:

  InChIKey=SVTBMSDMJJWYQN-UHFFFAOYSA-N

  It may allow easier web searches for Hexylene glycol. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the Hexylene glycol as the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of Hexylene glycol

  There may be different names of the Hexylene glycol compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:

  • Hexylene glycol, PharmaGrade, USP/NF, Manufactured under appropriate GMP controls for pharma or biopharmaceutical production
  • ( inverted exclamation markA)-2-(1/4)x>>u-2,4-Ii paragraph signthorn (1/4)
  • Hexylene glycol, United States Pharmacopeia (USP) Reference Standard
  • I14-13847
  • 41994-80-3 (unspecified titanium(4+) salt)
  • EN300-170052
  • D04439
  • Hexylene glycol, BioUltra, >=99.0% (GC)
  • .alpha.,.alpha.'-Trimethyltrimethylene glycol
  • M0384

  • Hexylene glycol, puriss., >=99.0% (GC)
  • R-(-)-2-METHYL-2,4-PENTANEDIOL
  • Hexylene glycol, BioXtra, >=99% (GC)
  • BBV-39688797
  • RTR-032435
  • CCG-213719
  • MFCD00004547
  • AR-1L0996
  • ANW-15793
  • Hexylene glycol, analytical standard

  • HY-B0903
  • 99113-75-4
  • HMS3264E19
  • (?)-2-Methyl-2,4-pentanediol
  • 1,3-Trimethyltrimethylenediol
  • 2-Methyl-pentane-2,4-diol
  • 2,4-Pentanediol,2-methyl-
  • Hexylene glycol, 99.5%
  • Hexylene glycol, >=99%
  • 2methyl-2,4-pentanediol

  • Hexylene glycol, 99%
  • Hexylene glycol (NF)
  • 2-Methylpentan-2,4-diol
  • CAS-107-41-5
  • W-108748
  • J-660006
  • J-640306
  • 1,3,3-trimethyl-1,3-propanediol
  • 1,1,3-trimethyl-1,3-propanediol
  • 1,3-dimethyl-3-hydroxybutanol

  • EPA Pesticide Chemical Code 068601
  • (+-)-2-Methyl-2,4-pentanediol
  • alpha,alpha,alpha'-Trimethyltrimethylene glycol
  • Caswell No. 574
  • 2-Methyl-2,4-pentandiol
  • 2-Methyl pentane-2,4-diol
  • 1,1,3-Trimethyltrimethylenediol
  • 4-Methyl-2,4-pentanediol
  • Isol
  • 2,4-Pentanediol, 2-methyl-

  • 2,4-Dihydroxy-2-methylpentane
  • Pinakon
  • Diolane
  • 107-41-5
  • 2-METHYL-2,4-PENTANEDIOL
  • Hexylene glycol

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Hexylene glycol Identification Summary Frequently Asked Questions (FAQs)

What’s the formula of Hexylene glycol?
C6H14O2
How many atoms and what are the elements in the Hexylene glycol molecule?
22 atom(s) - 14 Hydrogen atom(s), 6 Carbon atom(s), and 2 Oxygen atom(s)
How many chemical bonds and what types of bonds are in the Hexylene glycol structure?
21 bond(s) - 7 non-H bond(s), 2 rotatable bond(s), 2 hydroxyl group(s), 1 secondary alcohol(s), and 1 tertiary alcohol(s)
What’s the molar mass of Hexylene glycol?
118.17416 g/mol
What’s the SMILES format of Hexylene glycol?
CC(O)CC(C)(C)O
What’s the InChI format of Hexylene glycol?
InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3
What’s the InChIKey string of Hexylene glycol?
SVTBMSDMJJWYQN-UHFFFAOYSA-N

521 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).