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Paraffins, waxes and cycloalkanes

3-Methylhexane

Also known as 2-Ethylpentane, Hexane, 3-methyl-, 3-methyl hexane

CAS 589-34-4Formula C7H16Molar mass 100.21 g/molEC 209-643-3
GHS signal word: Danger. Pictograms: Flammable, Harmful or irritant, Serious health hazard, Hazardous to the environment 3 suppliers listed
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3-Methylhexane chemical structure, C7H16, CAS 589-34-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
589-34-4
Formula
C7H16
Molar mass
100.21 g/mol
Physical form
Liquid
HS code
290110
Category
Paraffins, waxes and cycloalkanes
Illustrative photo, 25 litre white jerry cans of liquid in a warehouse
Typical packagingIllustrative packaging image, not the actual product

What is 3-Methylhexane?

Plain description, key identifiers and synonyms

3-methylhexane is an alkane that is hexane substituted by a methyl group at position 3. It has a role as a human metabolite. It is a volatile organic compound and an alkane.

3-Methylhexane is an optically active hydrocarbon.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-methylhexane
CAS number
589-34-4 CAS number cross-checked
EC number
209-643-3
Molecular formula
C7H16
UNII
1J3ZK6L6VY
MDL number
MFCD00009408
InChIKey
VLJXXKKOSFGPHI-UHFFFAOYSA-N
InChI
InChI=1S/C7H16/c1-4-6-7(3)5-2/h7H,4-6H2,1-3H3
SMILES (canonical and isomeric)
CCCC(C)CC

Synonyms

  • 2-Ethylpentane
  • Hexane, 3-methyl-
  • 3-methyl hexane
  • 3-Methylhexane, 99%
  • (S)-(+)-3-methylhexane
  • Hexane, 3-methyl-, (S)-
  • (+/-)-3-Methylhexane
  • 3-Methylhexane, purum, >=98.0% (GC)
  • 3-Methylhexane Solution in Methanol, 1000ug/mL

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

Physical form
Liquidexp.

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
100.21 g/molcalc.
Exact mass
100.1252 Dacalc.
LogP (octanol/water)
2.83calc.
Topological polar surface area
0 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
0calc.
Rotatable bonds
3calc.
Heavy atoms
7calc.
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

GHS signal word
Danger
GHS02: Flammable
Flammable
GHS07: Harmful or irritant
Harmful or irritant
GHS08: Serious health hazard
Serious health hazard
GHS09: Hazardous to the environment
Hazardous to the environment

Hazard statements

  • H225Highly flammable liquid and vapour.
  • H304May be fatal if swallowed and enters airways.
  • H315Causes skin irritation.
  • H336May cause drowsiness or dizziness.
  • H400Very toxic to aquatic life.
  • H410Very toxic to aquatic life with long lasting effects.
Precautionary statements (26)
  • P210Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.
  • P233Keep container tightly closed.
  • P240Ground and bond container and receiving equipment.
  • P241Use explosion-proof electrical, ventilating and lighting equipment.
  • P242Use non-sparking tools.
  • P243Take action to prevent static discharges.
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P271Use only outdoors or in a well-ventilated area.
  • P273Avoid release to the environment.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P302 + P352If on skin: Wash with plenty of water.
  • P303 + P361 + P353If on skin (or hair): Take off immediately all contaminated clothing. Rinse skin with water or shower.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P331Do not induce vomiting.
  • P332 + P317If skin irritation occurs: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P370 + P378In case of fire: Use appropriate media to extinguish.
  • P391Collect spillage.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P403 + P235Store in a well-ventilated place. Keep cool.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

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

Full safety data and first aid

3-Methylhexane suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 3 suppliers

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Where suppliers are based

3 suppliers in 2 countries

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3-Methylhexane price

Indicative price range per kg from live supplier offers

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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

Functional uses

  • Flavouring and nutrient

Regulatory status

Inventories, regulations and trade controls that list this substance

Europe

  • EU harmonised classification (CLP Annex VI)
    Index no: 601-008-00-2[6]

United States

  • TSCA inventory (USA)
    Status: Active in US commerce

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code 3-Methylhexane 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 3-Methylhexane is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 3-Methylhexane, based on the data on this page

What is 3-Methylhexane?

3-methylhexane is an alkane that is hexane substituted by a methyl group at position 3. It has a role as a human metabolite. It is a volatile organic compound and an alkane.

What is the CAS number of 3-Methylhexane?

The CAS registry number of 3-Methylhexane is 589-34-4.

What is the molecular formula and weight of 3-Methylhexane?

The molecular formula of 3-Methylhexane is C7H16 and its molar mass is 100.21 g/mol.

What is 3-Methylhexane used for?

Known uses and roles of 3-Methylhexane include animal metabolite, eukaryotic metabolite, human metabolite, mammalian metabolite, metabolite and 1 more.

Is 3-Methylhexane hazardous?

3-Methylhexane carries the GHS signal word "Danger". Main hazards: highly flammable liquid and vapour, may be fatal if swallowed and enters airways, causes skin irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of 3-Methylhexane?

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

Where can I buy 3-Methylhexane?

CompoundList lists 3 suppliers of 3-Methylhexane in United States and China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of 3-Methylhexane?

Suppliers quote 3-Methylhexane 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 3-Methylhexane

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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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