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Paraffins, waxes and cycloalkanes

2,3,5-Trimethylhexane

Also known as Hexane, 2,3,5-trimethyl-, Hexane, 2,3,5trimethyl, Hexane,2,3,5-trimethyl-

CAS 1069-53-0Formula C9H20Molar mass 128.26 g/molEC 213-957-6
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2,3,5-Trimethylhexane chemical structure, C9H20, CAS 1069-53-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1069-53-0
Formula
C9H20
Molar mass
128.26 g/mol
EC number
213-957-6
HS code
290110
Category
Paraffins, waxes and cycloalkanes

What is 2,3,5-Trimethylhexane?

Plain description, key identifiers and synonyms

2,3,5-trimethylhexane is an alkane that is hexane substituted by a methyl group at positions 2,3 and 5. It has a role as a human metabolite. It is a volatile organic compound and an alkane. It derives from a hydride of a hexane.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2,3,5-trimethylhexane
CAS number
1069-53-0 CAS number cross-checked
EC number
213-957-6
Molecular formula
C9H20
InChIKey
ODGLTLJZCVNPBU-UHFFFAOYSA-N
InChI
InChI=1S/C9H20/c1-7(2)6-9(5)8(3)4/h7-9H,6H2,1-5H3
SMILES (canonical and isomeric)
CC(C)CC(C)C(C)C

Synonyms

  • Hexane, 2,3,5-trimethyl-
  • Hexane, 2,3,5trimethyl
  • Hexane,2,3,5-trimethyl-
  • 2,3,5-trimethyl-hexane
  • 2,3,5-Trimethyl Hexane

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
128.26 g/molcalc.
Exact mass
128.1565 Dacalc.
LogP (octanol/water)
3.32calc.
Topological polar surface area
0 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
0calc.
Rotatable bonds
3calc.
Heavy atoms
9calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
1calc.
Formal charge
0calc.
Stereocentres
1calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

2,3,5-Trimethylhexane suppliers

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2,3,5-Trimethylhexane price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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Uses and applications

What the substance is used for, by industry and function

Roles

  • animal metabolite
  • eukaryotic metabolite
  • human metabolite
  • mammalian metabolite
  • metabolite

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code 2,3,5-Trimethylhexane is traded under.

HS 2901.10Indicative HS code

Saturated

World exports in 2024
$8.47B
+23.9% vs 2023, imports $7.66B
2019 to 2024
Top exporters
  1. United States79.8%
  2. Canada10.1%
  3. Germany1.4%
Top importers
  1. China34.6%
  2. United States12.2%
  3. Sweden5.0%
Reported customs values in USD, not prices.Full trade data

The HS code shown for 2,3,5-Trimethylhexane is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 2,3,5-Trimethylhexane, based on the data on this page

What is 2,3,5-Trimethylhexane?

2,3,5-trimethylhexane is an alkane that is hexane substituted by a methyl group at positions 2,3 and 5. It has a role as a human metabolite. It is a volatile organic compound and an alkane. It derives from a hydride of a hexane.

What is the CAS number of 2,3,5-Trimethylhexane?

The CAS registry number of 2,3,5-Trimethylhexane is 1069-53-0.

What is the molecular formula and weight of 2,3,5-Trimethylhexane?

The molecular formula of 2,3,5-Trimethylhexane is C9H20 and its molar mass is 128.26 g/mol.

What is 2,3,5-Trimethylhexane used for?

Known uses and roles of 2,3,5-Trimethylhexane include animal metabolite, eukaryotic metabolite, human metabolite, mammalian metabolite and metabolite.

Is 2,3,5-Trimethylhexane hazardous?

No GHS hazard classification for 2,3,5-Trimethylhexane is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of 2,3,5-Trimethylhexane?

2,3,5-Trimethylhexane is usually classified under HS code 290110 (Saturated). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 2,3,5-Trimethylhexane?

Post a free request on CompoundList and suppliers of 2,3,5-Trimethylhexane will send you quotes. Your contact details stay private until you accept a quote.

What is the price of 2,3,5-Trimethylhexane?

Suppliers quote 2,3,5-Trimethylhexane on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle 2,3,5-Trimethylhexane

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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