2-hydroxy-2-methylpropanenitrile

C4H7NO

CAS75-86-5
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
75-86-5
EC Number
200-909-4
UN Number
1541
Index Number
608-004-00-X
PubChem CID
6406

Physical-chemical properties

Molecular Formula
C4H7NO
Molar Mass
85.10 g/mol
IUPAC Name
2-hydroxy-2-methylpropanenitrile

Chemical Identifiers

InChI
InChI=1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3
InChI Key
MWFMGBPGAXYFAR-UHFFFAOYSA-N

Overview

2-hydroxy-2-methylpropanenitrile (CAS 75-86-5) is an organic nitrile compound characterized by its hydroxyl and methyl substituents on the carbon adjacent to the cyano group. This chemical substance, also known by its IUPAC designation 2-hydroxy-2-methylpropanenitrile, belongs to the family of substituted acetonitriles and represents an important intermediate in organic synthesis. With a molecular formula of C4H7NO and molecular weight of 85.1 g/mol, this compound exhibits both nitrile and alcohol functional groups, making it a versatile building block for various chemical transformations. The compound presents significant safety considerations due to its classification as Acute Tox. 2 and Acute Tox. 1 under the GHS system, requiring the "Danger" signal word and GHS06 pictogram for acute toxicity. Additionally, it carries environmental hazard classifications (Aquatic Acute 1, Aquatic Chronic 1) represented by the GHS09 pictogram, indicating potential risks to aquatic ecosystems. Transportation regulations classify it under ADR Class 6.1, reflecting its toxic properties and requiring appropriate handling protocols. Like other nitrile compounds such as formonitrile, 2-hydroxy-2-methylpropanenitrile finds applications in pharmaceutical intermediate synthesis, where its dual functionality enables complex molecular construction. It serves as a key building block in agrochemical manufacturing and specialty chemical production, particularly in processes requiring controlled introduction of both hydroxyl and nitrile functionalities. Industrial applications typically involve its use in the synthesis of heterocyclic compounds, pharmaceutical APIs, and advanced materials. The compound's reactivity profile makes it valuable for creating complex molecular architectures in fine chemical manufacturing. OYSI provides reliable access to 2-hydroxy-2-methylpropanenitrile for European industrial customers, ensuring consistent quality and regulatory compliance for specialized chemical applications.

Safety & Classification

Danger
Classification:

Acute Tox. 2 *; Acute Tox. 1; Acute Tox. 2 *; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H330

Fatal if inhaled.

H310

Fatal in contact with skin.

H300

Fatal if swallowed.

H400

Very toxic to aquatic life.

H410

Very toxic to aquatic life with long lasting effects.

Classification according to CLP Regulation (EC) No 1272/2008. The complete list of hazard and precautionary statements can be found in the Safety Data Sheet (SDS).

First Aid Measures

Inhalation

Fatal

Measures if vapours or dust are inhaled

First Aid Actions

  • +P304IF INHALED:
  • +P340Remove person to fresh air and keep comfortable for breathing.
  • +P311Call a POISON CENTER/doctor.

Related hazard statements:

Skin Contact

Fatal

Measures if substance contacts the skin

First Aid Actions

  • +P302IF ON SKIN:
  • +P352Wash with plenty of water.
  • +P361Take off immediately all contaminated clothing.
  • +P313Get medical advice/attention.

Related hazard statements:

Ingestion

Fatal

Measures if substance is accidentally swallowed

First Aid Actions

  • +P301IF SWALLOWED:
  • +P330Rinse mouth.
  • +P331Do NOT induce vomiting.
  • +P310Immediately call a POISON CENTER/doctor.

Related hazard statements:

General Measures

Emergency 112 | Poison Control: +49 30 19240 (DE), +33 1 45 42 59 59 (FR), +31 30 274 88 88 (NL)

First aid measures are based on CLP classification and associated P-statements. They do not replace the Safety Data Sheet (SDS). In case of emergency, always consult the full SDS and a physician.

Transport (ADR)

UN Number1541
ADR Class6.1
Packing GroupI
Tunnel CodeC/D
Proper Shipping NameAcetoncyanhydrin, stabilisiert
Marine PollutantNo

Frequently Asked Questions

What is 2-hydroxy-2-methylpropanenitrile?

2-hydroxy-2-methylpropanenitrile is an organic chemical compound with the molecular formula C4H7NO and CAS number 75-86-5. This nitrile compound has a molecular weight of 85.1 g/mol and contains both hydroxyl and nitrile functional groups. It is classified as highly toxic with acute toxicity categories 1 and 2, and poses significant environmental hazards to aquatic life. The substance requires careful handling due to its dangerous classification under GHS regulations.

What are the physicochemical properties of 2-hydroxy-2-methylpropanenitrile?

2-hydroxy-2-methylpropanenitrile is a chemical compound with molecular formula C4H7NO and molecular weight 85.1 g/mol. As a nitrile compound containing a hydroxyl group, it likely exists as a liquid at room temperature with characteristic nitrile odor. The presence of both polar hydroxyl and nitrile groups suggests moderate solubility in polar solvents. Specific physical properties such as boiling point, density, and exact solubility parameters should be confirmed through technical data sheets.

What is 2-hydroxy-2-methylpropanenitrile used for?

2-hydroxy-2-methylpropanenitrile serves as an important intermediate in organic synthesis and chemical manufacturing processes. Its dual functional groups (hydroxyl and nitrile) make it valuable for producing pharmaceuticals, agrochemicals, and specialty chemicals. The compound is typically used in professional industrial settings for chemical synthesis reactions, particularly where both nitrile and alcohol functionalities are required. Due to its high toxicity classification, its use is restricted to specialized industrial applications with proper safety controls.

How to handle 2-hydroxy-2-methylpropanenitrile safely?

2-hydroxy-2-methylpropanenitrile requires extreme caution during handling due to its Acute Tox. 1 and 2 classifications. Essential PPE includes chemical-resistant gloves, safety goggles, and respiratory protection in well-ventilated areas or fume hoods. Avoid skin contact, inhalation, and ingestion completely. Work in controlled environments with emergency shower and eyewash stations readily available. Only trained personnel should handle this substance, following strict safety protocols and having emergency response procedures in place.

How to store 2-hydroxy-2-methylpropanenitrile correctly?

2-hydroxy-2-methylpropanenitrile must be stored in tightly sealed containers in cool, dry, well-ventilated areas away from heat sources and incompatible materials. As a highly toxic substance, it requires secure storage with restricted access and appropriate warning labels. Keep containers upright and check regularly for leaks. Storage areas should have spill containment measures and be separated from food, feed, and drinking water. Maintain inventory records and ensure compatibility with container materials to prevent degradation.

What to do in case of contact with 2-hydroxy-2-methylpropanenitrile?

Immediate action is critical due to the substance's high toxicity classification. For skin contact, remove contaminated clothing and flush affected area with plenty of water for at least 15 minutes. If inhaled, move to fresh air immediately. For eye contact, rinse thoroughly with water for several minutes, removing contact lenses if present. If ingested, do not induce vomiting. Seek immediate medical attention in all cases of exposure, providing safety data sheet information to medical personnel.

How to dispose of 2-hydroxy-2-methylpropanenitrile properly?

2-hydroxy-2-methylpropanenitrile must be disposed of as hazardous waste through licensed waste management companies due to its high toxicity and environmental hazard classifications. Never dispose of this substance in regular waste, sewers, or the environment. Contact certified hazardous waste disposal services that can handle Acute Tox. 1 materials and aquatic pollutants. Follow local and European waste regulations (EU Waste Framework Directive) and maintain disposal documentation for regulatory compliance and traceability.

How to transport 2-hydroxy-2-methylpropanenitrile?

2-hydroxy-2-methylpropanenitrile is classified as ADR Class 6.1 (toxic substances) Packing Group I, indicating high toxicity requiring strict transport regulations. It must be transported in approved packaging with proper hazard labels (GHS06 skull and crossbones, GHS09 environment). Transport requires trained drivers with ADR certification and appropriate transport documents. Vehicles must carry emergency equipment and follow designated routes. Only authorized carriers experienced in handling highly toxic materials should transport this substance.

Is 2-hydroxy-2-methylpropanenitrile subject to specific regulations?

2-hydroxy-2-methylpropanenitrile is subject to comprehensive chemical regulations including EU REACH registration requirements and CLP classification as a highly toxic substance. While not currently listed as SVHC, its Acute Tox. 1 classification means it falls under strict handling, labeling, and reporting requirements. Companies must comply with occupational safety regulations, environmental protection laws, and transport regulations (ADR). Regular safety assessments and worker health monitoring may be mandatory depending on usage quantities and exposure potential.

Where to buy 2-hydroxy-2-methylpropanenitrile in Europe?

2-hydroxy-2-methylpropanenitrile is available through specialized chemical distributors like OYSI, a European distributor of technical chemicals. Due to its high toxicity classification and regulatory requirements, this substance is only supplied to qualified industrial customers with proper handling capabilities. Suppliers must verify customer qualifications, intended use, and safety infrastructure before delivery. OYSI provides technical support and regulatory documentation to ensure compliant procurement and handling of this hazardous chemical substance.

Data Sources

Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.