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Isotope-labelled compounds

Hexane-d14

Also known as n-Hexane-d14, 1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecadeuteriohexane, n-Hexane-d14 (Reagent grade)

CAS 21666-38-6Formula C6H14Molar mass 100.26 g/molEC 680-747-2
GHS signal word: Danger. Pictograms: Flammable, Harmful or irritant, Serious health hazard, Hazardous to the environment 1 supplier listed
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Hexane-d14 chemical structure, C6H14, CAS 21666-38-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
21666-38-6
Formula
C6H14
Molar mass
100.26 g/mol
Physical form
Liquid
HS code
284590
Category
Isotope-labelled compounds
Illustrative photo, assorted laboratory chemical bottles and jars on a laboratory bench
Typical packagingIllustrative packaging image, not the actual product

What is Hexane-d14?

Plain description, key identifiers and synonyms

Hexane-d14 is a chemical substance with the molecular formula C6H14 and a molar mass of 100.26 g/mol. Its CAS registry number is 21666-38-6. The IUPAC name is 1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecadeuteriohexane.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecadeuteriohexane
CAS number
21666-38-6 CAS number cross-checked
EC number
680-747-2
Molecular formula
C6H14
MDL number
MFCD00037562
InChIKey
VLKZOEOYAKHREP-ZLKPZJALSA-N
InChI
InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3/i1D3,2D3,3D2,4D2,5D2,6D2
Canonical SMILES
CCCCCC
Isomeric SMILES
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]

Synonyms

  • n-Hexane-d14
  • 1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecadeuteriohexane
  • n-Hexane-d14 (Reagent grade)
  • Hexane-d??
  • (~2~H_14_)Hexane
  • Hexane-d14, 99 atom % D
  • n-Hexane (d14, 98%)

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
100.26 g/molcalc.
Exact mass
100.1974 Dacalc.
LogP (octanol/water)
2.59calc.
Topological polar surface area
0 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
0calc.
Rotatable bonds
3calc.
Heavy atoms
6calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
1calc.
Formal charge
0calc.
Stereocentres
0calc.
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.
  • H361Suspected of damaging fertility or the unborn child.
  • H373May cause damage to organs through prolonged or repeated exposure.
  • H411Toxic to aquatic life with long lasting effects.
Precautionary statements (29)
  • P203Obtain, read and follow all safety instructions before use.
  • 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.
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • 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.
  • P318If exposed or concerned, get medical advice.
  • 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

Hexane-d14 suppliers

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Where suppliers are based

1 supplier in 1 country

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Hexane-d14 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

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 Hexane-d14 is traded under.

HS 2845.90Indicative HS code

Compounds, inorganic or organic, of such isotopes, whether or not chemically defined

World exports in 2024
$2.67B
+19.0% vs 2023, imports $1.67B
2019 to 2024
Top exporters
  1. Ireland55.3%
  2. Hong Kong11.8%
  3. United States10.7%
Top importers
  1. China24.3%
  2. Ireland21.9%
  3. South Korea13.3%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Hexane-d14 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Hexane-d14, based on the data on this page

What is Hexane-d14?

Hexane-d14 is a chemical substance with the molecular formula C6H14 and a molar mass of 100.26 g/mol. Its CAS registry number is 21666-38-6. The IUPAC name is 1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecadeuteriohexane.

What is the CAS number of Hexane-d14?

The CAS registry number of Hexane-d14 is 21666-38-6.

What is the molecular formula and weight of Hexane-d14?

The molecular formula of Hexane-d14 is C6H14 and its molar mass is 100.26 g/mol.

What is Hexane-d14 used for?

Known uses and roles of Hexane-d14 include isotope-labelled compounds in research and laboratory.

Is Hexane-d14 hazardous?

Hexane-d14 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 Hexane-d14?

Hexane-d14 is usually classified under HS code 284590 (Isotopes other than those of heading 2844, compounds, inorganic or organic, of such…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Hexane-d14?

CompoundList lists 1 supplier of Hexane-d14 in India. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Hexane-d14 in India?

1 supplier in India list Hexane-d14 on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Hexane-d14?

Suppliers quote Hexane-d14 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 Hexane-d14

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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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