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Retrosynthesis · AI + evidence

Hexylene glycol (C6H14O2)

Hexylene glycol (C6H14O2; CAS 107-41-5) is a practical retrosynthesis target. Hexylene glycol presents a C6 framework, alcohol functionality. Open AI route search in one click below.

Target
Hexylene glycol
CAS
107-41-5
Formula
C6H14O2
Approx. MW
118.18
SMILES
CC(O)CC(C)(C)O
PubChem CID
7870
Approx. carbons
C6

Hexylene glycol structure

Properties

IUPAC name
2-methylpentane-2,4-diol
Common names
Hexylene glycol; 2-METHYL-2,4-PENTANEDIOL; 107-41-5; 2-Methylpentane-2,4-diol; Pinakon; Diolane; 2,4-Dihydroxy-2-methylpentane; Isol; 2,4-Pentanediol, 2-methyl-; 1,1,3-Trimethyltrimethylenediol
Molecular weight
118.17
Exact mass
118.10
InChIKey
SVTBMSDMJJWYQN-UHFFFAOYSA-N
Melting point
-58 °F (USCG, 1999)
Boiling point
387 °F at 760 mmHg (USCG, 1999)
Density
0.923 at 68 °F (USCG, 1999) - Less dense than water; will float

View on PubChem

Hexylene glycol 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Hexylene glycol?

Hexylene glycol has molecular formula C6H14O2. Molecular weight about 118.18 g·mol⁻¹.

What is the CAS number of Hexylene glycol?

The CAS Registry Number for Hexylene glycol is 107-41-5.

Run AI retrosynthesis for Hexylene glycol Target catalog AI tools overview

Open the planner with Hexylene glycol preloaded, then keep routes that match CAS 107-41-5.

Related targets

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2-Isobutoxyethanol2-tert-Butoxyethanol3-Methoxy-3-methylbutan-1-olHexamethylene glycolPinacol1-(2-Hydroxyethyl)pyrrolidin-2-one

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References & tools