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. This aliphatic formate ester, with molecular formula C6H12O2 and molecular weight of 116.16 g/mol, represents an important industrial chemical intermediate widely used in various technical applications. The compound is produced through the esterification reaction between 3-methylbutanol and formic acid, resulting in a colorless liquid with distinctive aromatic properties that make it valuable across multiple industries. From a safety perspective, 3-methylbutyl formate is classified as a Category 2 flammable liquid under GHS regulations, requiring careful handling and storage protocols. The substance carries hazard classifications including Eye Irritation Category 2 and Specific Target Organ Toxicity Single Exposure Category 3, necessitating appropriate personal protective equipment during handling. Its ADR Class 3 classification confirms its flammable nature for transportation purposes. The compound finds primary applications in the fragrance and flavor industry due to its pleasant fruity characteristics, serving as a key component in artificial fruit flavoring formulations. Additionally, it functions as an effective solvent in specialty coating applications and as an intermediate in organic synthesis processes. Like related esters such as ethyl acetate and propyl acetate, 3-methylbutyl formate offers excellent solvency properties while maintaining relatively low toxicity profiles compared to other organic solvents. Industrial users particularly value this ester for its favorable evaporation rate and compatibility with various polymer systems, making it suitable for specialized applications requiring controlled volatility. OYSI maintains reliable supply chains for 3-methylbutyl formate to serve European markets with consistent quality and technical support.

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. It belongs to the ester family, formed by the combination of formic acid and 3-methylbutanol (isoamyl alcohol). With a molecular weight of 116.16 g/mol, this compound is classified as a flammable liquid that poses eye irritation and specific target organ toxicity risks. It requires careful handling due to its hazardous properties indicated by GHS02 and GHS07 pictograms.

What are the physicochemical properties of 3-methylbutyl formate?

3-methylbutyl formate is a colorless to pale yellow liquid at room temperature with a characteristic fruity, banana-like odor typical of formate esters. It has low solubility in water but is miscible with most organic solvents including alcohols and ethers. The compound has a relatively low boiling point and high volatility, contributing to its flammable nature. Its density is lower than water, and it exhibits typical ester chemical reactivity including 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 reminiscent of bananas and apples. It serves as a solvent in various industrial applications, particularly in coatings, paints, and adhesives formulations. The compound is also utilized in the fragrance industry for perfumes and cosmetic products. Additionally, it finds application as an intermediate in organic synthesis and as a component in specialty chemical formulations requiring its specific solvent properties.

How to handle 3-methylbutyl formate safely?

3-methylbutyl formate requires careful handling due to its flammable and irritating properties. Always wear appropriate personal protective equipment including safety goggles, chemical-resistant gloves, and protective clothing to prevent skin and eye contact. Work in well-ventilated areas or under fume hoods to avoid inhalation of vapors. Keep away from ignition sources, heat, and sparks. Use explosion-proof electrical equipment when handling larger quantities. Ensure proper grounding and bonding during transfer operations to prevent static electricity buildup.

How to store 3-methylbutyl formate correctly?

3-methylbutyl formate must be stored in a cool, dry, well-ventilated area away from heat sources, direct sunlight, and ignition sources. Use tightly sealed containers made of compatible materials to prevent vapor escape and contamination. Store separately from strong oxidizing agents, acids, and bases to avoid incompatible reactions. Maintain storage temperatures below 25°C when possible and ensure adequate fire suppression systems are available. Regular inspection of containers for leaks or damage is essential for safe storage management.

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

In case of eye contact with 3-methylbutyl formate, immediately flush with plenty of clean water for at least 15 minutes and seek medical attention. For skin contact, remove contaminated clothing and wash the affected area thoroughly with soap and water. If inhaled, move the person to fresh air immediately and seek medical help if breathing difficulties occur. In case of ingestion, do not induce vomiting and seek immediate medical attention. Always consult the safety data sheet for specific emergency procedures.

How to dispose of 3-methylbutyl formate properly?

3-methylbutyl formate waste must be disposed of in accordance with local, national, and EU waste regulations. The substance should be collected in appropriate containers and handed over to authorized waste disposal companies specializing in hazardous chemical waste. Do not discharge into drains, soil, or water bodies. Incineration at licensed facilities with appropriate emission controls is typically the preferred disposal method. Empty containers should be properly cleaned and disposed of according to local regulations for hazardous waste packaging materials.

How to transport 3-methylbutyl formate?

3-methylbutyl formate is classified as ADR Class 3 (flammable liquids), Packing Group III for transportation purposes. It must be transported in approved packaging that meets UN specification requirements and properly labeled with appropriate hazard labels. Transport vehicles must comply with ADR regulations including proper ventilation, fire extinguishing equipment, and emergency response information. Only trained and certified drivers should transport this material, and all transport documentation must accurately reflect the hazardous nature of the cargo.

Is 3-methylbutyl formate subject to specific regulations?

3-methylbutyl formate is subject to various European regulations including REACH registration requirements and CLP classification and labeling obligations. It is not identified as a Substance of Very High Concern (SVHC) under REACH. The compound must be classified and labeled according to CLP regulation with appropriate hazard statements and precautionary measures. Food-grade applications are subject to additional food safety regulations. Industrial users must comply with occupational health and safety requirements and maintain proper risk assessments for workplace exposure.

Where to buy 3-methylbutyl formate in Europe?

3-methylbutyl formate is available through OYSI, a specialized European distributor of technical chemicals serving various industries across the continent. OYSI provides reliable supply chain solutions with proper documentation, safety data sheets, and regulatory compliance support. As an established chemical distributor, OYSI ensures product quality and can accommodate different packaging requirements for industrial, research, and commercial applications. Contact OYSI directly for specific availability, technical specifications, and delivery options tailored to your requirements.

Data Sources

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