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Glycosides and other natural products

Linamarin

Also known as Phaseolunatin, 2-(beta-D-Glucopyranosyloxy)-2-methylpropanenitrile, alpha-Hydroxyisobutyronitrile-beta-D-glucose

CAS 554-35-8Formula C10H17NO6Molar mass 247.25 g/molEC 637-249-5
GHS signal word: Warning. Pictograms: Harmful or irritant 3 suppliers listed
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Linamarin chemical structure, C10H17NO6, CAS 554-35-8
2D chemical structure

Key facts

What buyers check first

All properties
Appearance
Needles
Melting point
142 to 143
Solubility
FREELY SOL IN WATER, COLD ALCOHOL, HOT ACETONE, SLIGHTLY SOL IN HOT ETHYL ACETATE, ETHER…
HS code
293890
Category
Glycosides and other natural products
Illustrative photo, assorted laboratory chemical bottles and jars on a laboratory bench
Typical packagingIllustrative packaging image, not the actual product

What is Linamarin?

Plain description, key identifiers and synonyms

Linamarin is a beta-D-glucoside. It is functionally related to a 2-hydroxy-2-methylpropanenitrile.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanenitrile
CAS number
554-35-8 CAS number cross-checked
EC number
637-249-5
Molecular formula
C10H17NO6
UNII
H3V9RP3WLO
MDL number
MFCD00036209
InChIKey
QLTCHMYAEJEXBT-ZEBDFXRSSA-N
InChI
InChI=1S/C10H17NO6/c1-10(2,4-11)17-9-8(15)7(14)6(13)5(3-12)16-9/h5-9,12-15H,3H2,1-2H3/t5-,6-,7+,8-,9+/m1/s1
Canonical SMILES
CC(C)(C#N)OC1OC(CO)C(O)C(O)C1O
Isomeric SMILES
CC(C)(C#N)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O

Synonyms

  • Phaseolunatin
  • 2-(beta-D-Glucopyranosyloxy)-2-methylpropanenitrile
  • alpha-Hydroxyisobutyronitrile-beta-D-glucose
  • 1-cyano-1-methylethyl beta-D-glucoside
  • 2-(beta-D-Glucopyranosyloxy)isobutyronitrile
  • Propanenitrile, 2-(beta-D-glucopyranosyloxy)-2-methyl-
  • 2-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanenitrile
  • 2-methyl-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propanenitrile
  • 2-methyl-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)propanenitrile
  • 2-methyl-2-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxypropanenitrile
  • 2-Methyl-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)propanenitrile
  • Manihotoxin
  • Linamarin min. 99%
  • 5-17-07-00397 (Beilstein Handbook Reference)
  • DivK1c_007032
  • a-Hydroxyisobutyronitrile ?-D-glucose
  • Sdccgmls-0066829.p001
  • 2-beta-d-glucopyranosyloxy-2-methylpropanenitrile
  • 2-(?-D-Glucopyranosyloxy)-2-methyl-propanenitrile
  • 2-(beta-D-Glucopyranosyloxy)-2-methyl-Propanenitrile
  • 2-(b-D-Glucopyranosyloxy)-2-methylpropanenitrile, 9CI
  • alpha-Hydroxyisobutyronitrile beta-D-glucopyranoside, >=98.0% (HPLC)
  • 2-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-propanenitrile

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

Appearance
Needlesexp.
Taste
BITTERexp.
Melting point
142 to 143exp.
Solubility
FREELY SOL IN WATER, COLD ALCOHOL, HOT ACETONE, SLIGHTLY SOL IN HOT ETHYL ACETATE, ETHER, BENZENE, CHLOROFORM, PRACTICALLY INSOL IN PETROLEUM ETHERexp.

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
247.25 g/molcalc.
Exact mass
247.1056 Dacalc.
LogP (octanol/water)
-1.89calc.
Topological polar surface area
123.2 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
3calc.
Heavy atoms
17calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.9calc.
Formal charge
0calc.
Stereocentres
5calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, C1CCOCC1

C1CCOCC1

1 ring, 6 atoms, the Tetrahydropyran ring system.

12,069 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H302Harmful if swallowed.
  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H332Harmful if inhaled.
  • H335May cause respiratory irritation.
Precautionary statements (20)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P317Get medical help.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • 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

Linamarin suppliers

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All 3 suppliers

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Where suppliers are based

3 suppliers in 2 countries

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Linamarin 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

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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 Linamarin is traded under.

HS 2938.90Indicative HS code

Natural or reproduced by synthesis, other than rutoside (rutin) and its derivatives

World exports in 2024
$1.4B
−8.3% vs 2023, imports $1.35B
2019 to 2024
Top exporters
  1. China49.2%
  2. France * partner reported8.9%
  3. Malaysia6.1%
Top importers
  1. United States22.3%
  2. India * partner reported7.8%
  3. Brazil5.5%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

Quick answers about Linamarin, based on the data on this page

What is Linamarin?

Linamarin is a beta-D-glucoside. It is functionally related to a 2-hydroxy-2-methylpropanenitrile.

What is the CAS number of Linamarin?

The CAS registry number of Linamarin is 554-35-8.

What is the molecular formula and weight of Linamarin?

The molecular formula of Linamarin is C10H17NO6 and its molar mass is 247.25 g/mol.

Is Linamarin hazardous?

Linamarin carries the GHS signal word "Warning". Main hazards: harmful if swallowed, causes skin irritation, causes serious eye irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Linamarin?

Linamarin is usually classified under HS code 293890 (Glycosides, natural or reproduced by synthesis, and their salts, ethers, esters and…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Linamarin?

CompoundList lists 3 suppliers of Linamarin 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 Linamarin?

Suppliers quote Linamarin 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 Linamarin

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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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