3-methylbutyl formate

C6H12O2

CAS110-45-2
GHS02 Gefahrensymbol: Entzündbar – Flamme
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
Danger

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Identification

CAS Number
110-45-2
EC Number
203-769-2
UN Number
1109
Index Number
607-018-00-3
PubChem CID
8052

Physical-chemical properties

Molecular Formula
C6H12O2
Molar Mass
116.16 g/mol
IUPAC Name
3-methylbutyl formate

Chemical Identifiers

InChI
InChI=1S/C6H12O2/c1-6(2)3-4-8-5-7/h5-6H,3-4H2,1-2H3
InChI Key
XKYICAQFSCFURC-UHFFFAOYSA-N

Overview

3-methylbutyl formate (CAS 110-45-2) is an organic ester compound with characteristic fruity odor and flammable properties used in flavoring and industrial applications. This aliphatic ester is formed by the combination of 3-methylbutanol (isoamyl alcohol) and formic acid, resulting in a colorless liquid with a distinctive pleasant, fruity aroma reminiscent of banana and apple notes. With the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol, 3-methylbutyl formate belongs to the formate ester family and shares similar chemical characteristics with related compounds such as ethyl acetate and propyl acetate, though it offers unique olfactory properties that distinguish it in specific applications. The compound exhibits typical ester reactivity patterns and demonstrates moderate volatility under standard conditions. Safety considerations are paramount when handling this material, as it is classified as a Category 2 flammable liquid requiring appropriate fire prevention measures. The substance also presents potential eye irritation hazards and may cause specific target organ toxicity following single exposure, particularly affecting the central nervous system. Proper ventilation, personal protective equipment, and adherence to ADR Class 3 transportation regulations are essential for safe handling and storage. Primary industrial applications include its use as a flavoring agent in food and beverage formulations, where its natural fruit-like character provides authentic taste profiles. The compound also serves as a solvent in specialty chemical processes and as an intermediate in organic synthesis reactions. Additionally, it finds application in the fragrance industry for creating fruit-based scent compositions. OYSI offers 3-methylbutyl formate as part of our comprehensive portfolio of specialty chemical products for European industrial customers.

Safety & Classification

Danger
Classification:

Flam. Liq. 2; STOT SE 3; Eye Irrit. 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H225

Highly flammable liquid and vapour.

H335

May cause respiratory irritation.

H319

Causes serious eye irritation.

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

Irritant

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:

Eye Contact

Irritant

Measures if substance gets into the eyes

First Aid Actions

  • +P305IF IN EYES:
  • +P351Rinse cautiously with water for several minutes.
  • +P338Remove contact lenses, if present and easy to do. Continue rinsing.
  • +P313Get medical advice/attention.

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 Number1109
ADR Class3
Packing GroupIII
Tunnel CodeD/E
Proper Shipping NameIsoamylformiat, entzündbar, 23 °C <= Flp. <= 60 °C
Marine PollutantNo

Frequently Asked Questions

What is 3-methylbutyl formate?

3-methylbutyl formate is an organic chemical compound with the molecular formula C6H12O2 and CAS number 110-45-2. This ester has a molecular weight of 116.16 g/mol and belongs to the formate family of compounds. It is classified as a flammable liquid with potential health hazards including eye irritation and specific target organ toxicity. The compound is widely used in industrial applications and requires careful handling due to its hazardous properties.

What are the physicochemical properties of 3-methylbutyl formate?

3-methylbutyl formate is a colorless liquid ester with a characteristic fruity, banana-like odor typical of many formate compounds. It has moderate volatility and is slightly soluble in water but miscible with most organic solvents including alcohols and ethers. The compound has a relatively low molecular weight of 116.16 g/mol and exhibits typical ester chemical reactivity, including susceptibility to hydrolysis under acidic or basic conditions.

What is 3-methylbutyl formate used for?

3-methylbutyl formate is primarily used as a flavoring agent in the food industry due to its pleasant fruity aroma, particularly in banana and apple flavoring formulations. It serves as a solvent in various industrial applications, including paint formulations, coatings, and cleaning products. The compound is also utilized in the production of fragrances and cosmetics, and as an intermediate in organic synthesis for manufacturing other chemical compounds.

How to handle 3-methylbutyl formate safely?

3-methylbutyl formate requires careful handling due to its flammable nature and potential health effects. Personnel must wear appropriate personal protective equipment including safety goggles, chemical-resistant gloves, and adequate ventilation or respiratory protection. Work areas should be well-ventilated and free from ignition sources. Handle containers carefully to prevent spills and avoid direct skin contact or inhalation of vapors. Emergency eyewash stations and safety showers should be readily accessible.

How to store 3-methylbutyl formate correctly?

3-methylbutyl formate must be stored in a cool, dry, well-ventilated area away from heat sources, sparks, and open flames due to its flammable properties. Use only approved containers made of compatible materials and keep them tightly sealed to prevent vapor release. Store separately from strong oxidizing agents, acids, and bases to prevent dangerous reactions. Maintain storage temperature below 25°C and ensure adequate fire suppression systems are available in storage areas.

What to do in case of contact with 3-methylbutyl formate?

3-methylbutyl formate exposure requires immediate action depending on the contact route. For eye contact, flush immediately with clean water for at least 15 minutes and seek medical attention due to its eye irritant properties. In case of skin contact, remove contaminated clothing and wash thoroughly with soap and water. If inhaled, move the person to fresh air immediately. For ingestion, do not induce vomiting and seek immediate medical attention while providing the safety data sheet to medical personnel.

How to dispose of 3-methylbutyl formate properly?

3-methylbutyl formate disposal must comply with local and national waste regulations as it is classified as hazardous waste. The compound should never be poured down drains or disposed of in regular trash due to its flammable nature and environmental impact. Contact licensed hazardous waste disposal companies for proper collection and treatment. Small quantities may be suitable for solvent recovery processes, while larger amounts require incineration at specialized facilities with appropriate emission controls.

How to transport 3-methylbutyl formate?

3-methylbutyl formate is classified under ADR regulations as Class 3 (flammable liquids), Packing Group III, indicating moderate danger during transport. Shipments must use UN-approved packaging designed for flammable liquids and display appropriate hazard labels and placards. Transport vehicles require proper ventilation and fire suppression equipment. Drivers must hold valid dangerous goods certifications, and transport documents must include emergency response information and contact details for immediate assistance.

Is 3-methylbutyl formate subject to specific regulations?

3-methylbutyl formate is subject to multiple European regulations including REACH registration requirements and CLP classification as a flammable liquid with health hazards. It is not currently listed as a Substance of Very High Concern (SVHC). The compound must be properly classified, labeled, and accompanied by safety data sheets when supplied. Industrial users must implement appropriate risk management measures and may need to notify authorities depending on usage quantities and applications.

Where to buy 3-methylbutyl formate in Europe?

3-methylbutyl formate is available through OYSI, a trusted European distributor of specialty chemicals serving various industries across the continent. OYSI provides high-quality chemical products with proper documentation including certificates of analysis and safety data sheets. As an established chemical distributor, OYSI ensures compliance with European regulations and offers technical support for safe handling and application guidance. Contact OYSI directly for pricing, availability, and delivery options to your location.

Data Sources

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