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Isotope-labelled compounds

1-Hexanol-d11

Also known as n-Hexyl-2,2,3,3,4,4,5,5,6,6,6-d11 alcohol, 2,2,3,3,4,4,5,5,6,6,6-undecadeuteriohexan-1-ol, hexyl-d11 acetate

CAS 2159-18-4Formula C6H14OMolar mass 113.24 g/mol
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1-Hexanol-d11 chemical structure, C6H14O, CAS 2159-18-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2159-18-4
Formula
C6H14O
Molar mass
113.24 g/mol
HS code
284590
Category
Isotope-labelled compounds

What is 1-Hexanol-d11?

Plain description, key identifiers and synonyms

1-Hexanol-d11 is a chemical substance with the molecular formula C6H14O and a molar mass of 113.24 g/mol. Its CAS registry number is 2159-18-4. The IUPAC name is 2,2,3,3,4,4,5,5,6,6,6-undecadeuteriohexan-1-ol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2,2,3,3,4,4,5,5,6,6,6-undecadeuteriohexan-1-ol
CAS number
2159-18-4
Molecular formula
C6H14O
InChIKey
ZSIAUFGUXNUGDI-GILSBCIXSA-N
InChI
InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3/i1D3,2D2,3D2,4D2,5D2
Canonical SMILES
CCCCCCO
Isomeric SMILES
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])CO

Synonyms

  • n-Hexyl-2,2,3,3,4,4,5,5,6,6,6-d11 alcohol
  • 2,2,3,3,4,4,5,5,6,6,6-undecadeuteriohexan-1-ol
  • hexyl-d11 acetate
  • 1-(2,2,3,3,4,4,5,5,6,6,6-2H11)Hexanol

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
113.24 g/molcalc.
Exact mass
113.1735 Dacalc.
LogP (octanol/water)
1.56calc.
Topological polar surface area
20.23 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
4calc.
Heavy atoms
7calc.
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

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.

1-Hexanol-d11 suppliers

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1-Hexanol-d11 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 1-Hexanol-d11 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 1-Hexanol-d11 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 1-Hexanol-d11, based on the data on this page

What is 1-Hexanol-d11?

1-Hexanol-d11 is a chemical substance with the molecular formula C6H14O and a molar mass of 113.24 g/mol. Its CAS registry number is 2159-18-4. The IUPAC name is 2,2,3,3,4,4,5,5,6,6,6-undecadeuteriohexan-1-ol.

What is the CAS number of 1-Hexanol-d11?

The CAS registry number of 1-Hexanol-d11 is 2159-18-4.

What is the molecular formula and weight of 1-Hexanol-d11?

The molecular formula of 1-Hexanol-d11 is C6H14O and its molar mass is 113.24 g/mol.

What is 1-Hexanol-d11 used for?

Known uses and roles of 1-Hexanol-d11 include isotope-labelled compounds in research and laboratory.

Is 1-Hexanol-d11 hazardous?

No GHS hazard classification for 1-Hexanol-d11 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 1-Hexanol-d11?

1-Hexanol-d11 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 1-Hexanol-d11?

Post a free request on CompoundList and suppliers of 1-Hexanol-d11 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of 1-Hexanol-d11?

Suppliers quote 1-Hexanol-d11 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 1-Hexanol-d11

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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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