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Lactonitrile chemical structure, C3H5NO, CAS 78-97-7
2D chemical structure

Key facts

What buyers check first

Appearance
Yellow liquid
Melting point
-40 °C
Boiling point
221 °C
Density
0.9877 @ 20 °C/4 °C
Flash point
77 °C
HS code
292690
Category
Nitriles, nitro and azo compounds
UN number
UN 3276
Illustrative photo, pale yellow liquid in sealed glass ampoules on a laboratory bench
Typical packagingIllustrative packaging image, not the actual product

What is Lactonitrile?

Plain description, key identifiers and synonyms

Straw colored liquid. Used as a solvent /intermediate in production of ethyl lactate and lactic acid. (EPA, 1998)

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-hydroxypropanenitrile
CAS number
78-97-7 CAS number cross-checkedOther or deprecated CAS: 10017-09-1, 42492-95-5
EC numbers
201-163-2, 255-852-8
Molecular formula
C3H5NO
UNII
SJ38QDA188
MDL number
MFCD00004507
InChIKey
WOFDVDFSGLBFAC-UHFFFAOYSA-N
InChI
InChI=1S/C3H5NO/c1-3(5)2-4/h3,5H,1H3
SMILES (canonical and isomeric)
CC(C#N)O

Synonyms

  • 2-Hydroxypropanenitrile
  • 2-Hydroxypropionitrile
  • Propanenitrile, 2-hydroxy-
  • Acetocyanohydrin
  • Acetaldehyde, cyanohydrin
  • Propionitrile, 2-hydroxy-
  • Acetaldehyde cyanohydrin
  • Laktonitril
  • Ethylidene cyanohydrin
  • alpha-Hydroxypropionitrile
  • (1)-2-Hydroxypropiononitrile
  • DL-Lactonitrile
  • 2-Hydroxypropannitril
  • (S)-lactonitrile
  • (R)-1-Cyanoethanol
  • (r)-2-hydroxypropanenitrile
  • acetocyanhydrin
  • acetocyanhydrine
  • (RS)-lactonitrile
  • (+/-)-lactonitrile
  • 2-hydroxy-propionitrile
  • 2-hydroxy-propanenitrile
  • 3-03-00-00451 (Beilstein Handbook Reference)
  • DL-Lactonitrile, >=97.0% (T)
  • 2-Hydroxypropionitrile, (+/-)-
Show all 26 synonyms
  • 2-Hydroxypropanenitrile, (+/-)-

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
Yellow liquidexp.
Melting point
-40 °Cexp.
Boiling point
221 °Cexp.
Density
0.9877 @ 20 °C/4 °Cexp.
Flash point
77 °Cexp.
Solubility
Soluble in water and alcohol, insoluble in petroleum ether and carbon disulfide.exp.
Vapour pressure
1.19 × 10⁻¹ mm Hg @ 25 °Cexp.

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
71.08 g/molcalc.
Exact mass
71.0371 Dacalc.
LogP (octanol/water)
-0.11calc.
Topological polar surface area
44.02 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
0calc.
Heavy atoms
5calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.67calc.
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
GHS06: Acute toxicity (severe)
Acute toxicity (severe)
GHS07: Harmful or irritant
Harmful or irritant
GHS09: Hazardous to the environment
Hazardous to the environment
241NFPA 704 rating

Hazard statements

  • H300Fatal if swallowed.
  • H301Toxic if swallowed.
  • H310Fatal in contact with skin.
  • H330Fatal if inhaled.
  • H332Harmful if inhaled.
  • H400Very toxic to aquatic life.
  • H412Harmful to aquatic life with long lasting effects.
Precautionary statements (22)
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P262Do not get in eyes, on skin, or on clothing.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P273Avoid release to the environment.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P284In case of inadequate ventilation wear respiratory protection.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P316Get emergency medical help immediately.
  • P317Get medical help.
  • P320Specific treatment is urgent (see supplemental first aid instructions on the label).
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P361 + P364Take off immediately all contaminated clothing. And wash it before reuse.
  • P391Collect spillage.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.
UN number
UN 3276

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

Lactonitrile suppliers

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Where suppliers are based

4 suppliers in 4 countries

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Lactonitrile 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

Solvent, intermediate in production of ethyl acetate and lactic acid.

How it is made

Acetaldehyde and hydrocyanic acid.

Regulatory status

Inventories, regulations and trade controls that list this substance

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 Lactonitrile is traded under.

HS 2926.90Indicative HS code

Nitrile-function compounds, other

World exports in 2024
$2.15B
−13.5% vs 2023, imports $2.17B
2019 to 2024
Top exporters
  1. China35.6%
  2. France * partner reported12.7%
  3. India * partner reported11.2%
Top importers
  1. United States13.6%
  2. China12.4%
  3. Brazil11.9%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Lactonitrile?

Straw colored liquid. Used as a solvent /intermediate in production of ethyl lactate and lactic acid. (EPA, 1998)

What is the CAS number of Lactonitrile?

The CAS registry number of Lactonitrile is 78-97-7. Other or deprecated CAS numbers: 10017-09-1, 42492-95-5.

What is the molecular formula and weight of Lactonitrile?

The molecular formula of Lactonitrile is C3H5NO and its molar mass is 71.08 g/mol.

What is Lactonitrile used for?

Solvent, intermediate in production of ethyl acetate and lactic acid.

Is Lactonitrile hazardous?

Lactonitrile carries the GHS signal word "Danger". Main hazards: fatal if swallowed, toxic if swallowed, fatal in contact with skin. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Lactonitrile?

Lactonitrile is usually classified under HS code 292690 (Nitrile-function compounds, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Lactonitrile?

CompoundList lists 4 suppliers of Lactonitrile in China, Hong Kong, South Korea and Singapore. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Lactonitrile?

Suppliers quote Lactonitrile 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 Lactonitrile

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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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