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CAS 5582-82-1

3-Methyl-3-heptanol TCI M0955

3-Methyl-3-heptanol TCI M0955

Chemical Identity

CAS No.
5582-82-1
PubChem
CID 11710·SID 87572935
Formula
C8H18O
Molecular weight
130.23 g/mol
Full identifiers (IUPAC, SMILES, InChIKey)
IUPAC
3-methylheptan-3-ol
SMILES
CCCCC(C)(CC)O
InChIKey
PQOSNJHBSNZITJ-UHFFFAOYSA-N
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TCI M0955 3-Methyl-3-heptanol is an aliphatic tertiary alcohol in which the hydroxyl group is attached to the third carbon of a heptane chain that simultaneously bears a methyl branch. Unlike its symmetrical isomers, the off-centre placement of the hydroxyl group produces a molecule with a stereogenic centre and an asymmetric steric environment. As a non-heterocyclic building block, this compound is used by synthesis laboratories to introduce a specific branched alkyl framework, and it also serves as an interesting substrate in studies of reaction mechanisms and in comparisons of reactivity among tertiary alcohol isomers.

The properties that make it a preferred choice include the stability of the tertiary carbocation formed upon protonation and loss of water, together with its tendency to undergo dehydration to give a mixture of alkenes with an informative regiochemical pattern. Because the structure is unsymmetrical, elimination reactions can yield more than one product, which makes the compound useful for testing orientation rules and for examining how reaction conditions influence selectivity. The tertiary hydroxyl group is also comparatively resistant to ordinary oxidation, so researchers can retain this function throughout a transformation sequence.

In Indonesian laboratories, the material is typically handled in university and institutional organic synthesis facilities, in teaching laboratories covering reaction mechanisms, and in research groups that prepare branched alkyl intermediates. It is usually dispensed in a fume hood during multi-step preparations, then returned to controlled storage between uses. Working quantities are commonly small, since the compound serves as a starting material or a reference substrate rather than a bulk process chemical.

  • Branched alkyl framework introduction: the molecule delivers a defined tertiary carbon skeleton in a single step, sparing chemists a separate branch-building sequence during target-oriented synthesis.
  • Dehydration and elimination studies: its unsymmetrical structure produces more than one alkene product, making it a clear teaching and research model for orientation rules in eliminations.
  • Carbocation reactivity investigations: protonation and loss of water generate a stable tertiary carbocation, giving a convenient entry point for probing substitution and rearrangement pathways.
  • Comparative isomer reactivity work: placing it alongside symmetrical tertiary alcohol isomers lets researchers isolate how hydroxyl position and steric environment alter reaction rate and outcome.
  • Protected-function synthetic sequences: because the tertiary hydroxyl resists ordinary oxidation, the group can be carried intact through transformations targeting other sites in the molecule.

Brand TCI (Tokyo Chemical Industry)
CAS number 5582-82-1
Molecular formula —
Purity —
Category Chemistry > Building Blocks > Non-Heterocyclic Building Blocks
Pack sizes available in standard TCI research pack sizes; please confirm the currently listed size when ordering
Physical form —
Storage keep in a cool, well-ventilated place in a tightly closed original container
  • Catalogue code: M0955

Store the container tightly closed in a cool, dry and well-ventilated area, away from heat, open flames, sparks and strong oxidising agents. Keep the material in its original supplier packaging or in a compatible, clearly labelled chemically resistant container, and avoid transferring it to unlabelled vessels. Handle the compound inside a functioning fume hood and wear appropriate personal protective equipment, including safety goggles, chemically resistant gloves and a laboratory coat. Prevent contact with skin and eyes and avoid breathing vapour. Close the container immediately after dispensing to limit vapour release, keep an absorbent spill kit accessible in the working area, and consult the manufacturer safety data sheet before first use and before any unfamiliar procedure.

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