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Isotope-labelled compounds

Hexanal-D12

Also known as 1,2,2,3,3,4,4,5,5,6,6,6-dodecadeuteriohexan-1-one, Hexanal-d??, (~2~H_12_)Hexanal

CAS 1219803-74-3Formula C6H12OMolar mass 112.23 g/molEC 664-245-0
GHS signal word: Warning. Pictograms: Flammable
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Hexanal-D12 chemical structure, C6H12O, CAS 1219803-74-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1219803-74-3
Formula
C6H12O
Molar mass
112.23 g/mol
Physical form
Liquid
HS code
284590
Category
Isotope-labelled compounds
Illustrative photo, 25 litre white jerry cans of liquid in a warehouse
Typical packagingIllustrative packaging image, not the actual product

What is Hexanal-D12?

Plain description, key identifiers and synonyms

Hexanal-D12 is a chemical substance with the molecular formula C6H12O and a molar mass of 112.23 g/mol. Its CAS registry number is 1219803-74-3. The IUPAC name is 1,2,2,3,3,4,4,5,5,6,6,6-dodecadeuteriohexan-1-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1,2,2,3,3,4,4,5,5,6,6,6-dodecadeuteriohexan-1-one
CAS number
1219803-74-3 CAS number cross-checked
EC number
664-245-0
Molecular formula
C6H12O
InChIKey
JARKCYVAAOWBJS-PSDCQUMKSA-N
InChI
InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3/i1D3,2D2,3D2,4D2,5D2,6D
Canonical SMILES
CCCCCC=O
Isomeric SMILES
[2H]C(=O)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]

Synonyms

  • 1,2,2,3,3,4,4,5,5,6,6,6-dodecadeuteriohexan-1-one
  • Hexanal-d??
  • (~2~H_12_)Hexanal
  • Hexanal-d12, >=98 atom % D, >=96% (CP)
  • (1,2,2,3,3,4,4,5,5,6,6,6-?H??)hexanal

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
112.23 g/molcalc.
Exact mass
112.1641 Dacalc.
LogP (octanol/water)
1.77calc.
Topological polar surface area
17.07 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
4calc.
Heavy atoms
7calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.83calc.
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
Warning
GHS02: Flammable
Flammable

Hazard statements

  • H226Flammable liquid and vapour.
Precautionary statements (11)
  • 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.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P303 + P361 + P353If on skin (or hair): Take off immediately all contaminated clothing. Rinse skin with water or shower.
  • P370 + P378In case of fire: Use appropriate media to extinguish.
  • P403 + P235Store in a well-ventilated place. Keep cool.
  • 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

Hexanal-D12 suppliers

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Hexanal-D12 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 Hexanal-D12 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 Hexanal-D12 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Hexanal-D12, based on the data on this page

What is Hexanal-D12?

Hexanal-D12 is a chemical substance with the molecular formula C6H12O and a molar mass of 112.23 g/mol. Its CAS registry number is 1219803-74-3. The IUPAC name is 1,2,2,3,3,4,4,5,5,6,6,6-dodecadeuteriohexan-1-one.

What is the CAS number of Hexanal-D12?

The CAS registry number of Hexanal-D12 is 1219803-74-3.

What is the molecular formula and weight of Hexanal-D12?

The molecular formula of Hexanal-D12 is C6H12O and its molar mass is 112.23 g/mol.

What is Hexanal-D12 used for?

Known uses and roles of Hexanal-D12 include isotope-labelled compounds in research and laboratory.

Is Hexanal-D12 hazardous?

Hexanal-D12 carries the GHS signal word "Warning". Main hazards: flammable liquid and vapour. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Hexanal-D12?

Hexanal-D12 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 Hexanal-D12?

Post a free request on CompoundList and suppliers of Hexanal-D12 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Hexanal-D12?

Suppliers quote Hexanal-D12 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 Hexanal-D12

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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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