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Chemical substance record

3-methylpentane

96-14-0C6H1486.178 g/mol

An alkane that is pentane which is substituted by a methyl group at position 3. It is used as a solvent in organic synthesis, as a lubricant and as a raw material for producing carbon black. — ChEBI

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Identity & molecular properties

Source-linked values
CAS number96-14-0ChEBI ↗
Molecular formulaC6H14ChEBI ↗
Molar mass86.178 g/molChEBI ↗
Monoisotopic mass86.10955 DaChEBI ↗
Formal charge0ChEBI ↗
ChEBI identifierCHEBI:88373ChEBI ↗

Names & structural identifiers

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3-methylpentane
3-methylpentane
PFEOZHBOMNWTJB-UHFFFAOYSA-N
CCC(C)CC
InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3

Classification & relationships

ChEBI ontology

Roles recorded in ChEBI

non-polar solventallelochemicallubricanthuman metabolite

Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.

Mass ↔ amount of substance

Calculated from sourced mass
Equivalent amount
0.0116039 mol

Uses 86.178 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions
C
Carbon · 6 atoms
83.62%
H
Hydrogen · 14 atoms
16.38%

Calculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.

Research & patent references

Selected source associations
3-Methylpentane. CAS# 96-14-0. ↗Journal of toxicology and environmental health. Part A · 1999 Sep 10-24 · PMID 10537375
The complex photochromic behaviour of 5,6-benzo(2H)dimethylchromene in 3-methylpentane solution. ↗Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology · 2003 Oct · PMID 14606759

Sources & record history

Checked 27 Sep 2026
EMBL-EBI ChEBI · CHEBI:88373

Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0

PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.