Pharmaceutical Materials

CAS Number: 542-55-2

Molecular Formula: C5H10O2

Molecular Weight: 102.13

Appearance: Colorless liquid with a fruit aroma

Melting Point: -96°C

Boiling Point: 98.4°C

Usage: Used as a solvent in paints, films, and artificial leather production, as well as in perfume production and organic synthesis.

Names and Identifiers

Name	isobutyl formate
Synonyms	FEMA 2197 Tertyl formate isobutyl formate ISOBUTYL FORMATE Isobutyl methanoate Iso-butyl methanoate 2-methylpropyl ester 2-methylpropyl formate 2-METHYLPROPYL FORMATE 2-methyl-1-propylformate 2-Methyl-1-propyl formate Formic acid isobutyl ester FORMIC ACID ISOBUTYL ESTER
CAS	542-55-2
EINECS	208-818-1
InChI	InChI=1/C5H10O2/c1-5(2)3-7-4-6/h4-5H,3H2,1-2H3
InChIKey	AVMSWPWPYJVYKY-UHFFFAOYSA-N

542-55-2 – Physico-chemical Properties

Molecular Formula	C5H10O2
Molar Mass	102.13
Density	0.885 g/mL at 25 °C (lit.)
Melting Point	-96 °C
Boling Point	98.4 °C (lit.)
Flash Point	50°F
JECFA Number	124
Water Solubility	Soluble in water
Vapor Presure	38.2mmHg at 25°C
Vapor Density	3.52 (vs air)
Appearance	clear liquid
Color	Colorless to Almost colorless
Merck	14,5143
Storage Condition	Flammables area
Explosive Limit	8.9%
Refractive Index	n20/D 1.385(lit.)
Physical and Chemical Properties	Colorless to light yellow liquid. It has a sweet fruit aroma and ether aroma, with the flavor of rum as sweet. The boiling point of 97~98.2 degrees C, flash point of 10 degrees Celsius. Miscible in ethanol and ether, soluble in most organic solvents, slightly soluble in water. Natural products are found in vinegar, beer, wine, and rum.

542-55-2 – Risk and Safety

Risk Codes	R11 – Highly Flammable R34 – Causes burns R36/37 – Irritating to eyes and respiratory system.
Safety Description	S16 – Keep away from sources of ignition. S26 – In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S33 – Take precautionary measures against static discharges. S36/37/39 – Wear suitable protective clothing, gloves and eye/face protection. S45 – In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S24 – Avoid contact with skin. S9 – Keep container in a well-ventilated place.
UN IDs	UN 2393 3/PG 2
WGK Germany	2
RTECS	LQ8650000
HS Code	29151300
Hazard Class	3.1
Packing Group	II

542-55-2 – Reference Information

FEMA	2197 | ISOBUTYL FORMATE
olfactory threshold (Odor Threshold)	0.49ppm
toxicity	LD503060mg/kg (rabbit, oral). GRAS(FEMA).
usage limit	FEMA(mg/kg): alcohol-free beverage 2.2; Baked products 8.2; Gel products, pudding, 5.0; Cold drink 7.1; Candy 19. FDA,§ 172.515: Limited to Moderate Amount.
use	food spices.
production method	is prepared from isobutyric acid and carbon monoxide in the presence of sodium isobutyrate at 110 ℃ and 40.53MPa.
category	flammable liquid
toxicity classification	poisoning
acute toxicity	oral-rabbit LD50: 3064 mg/kg
explosive hazard characteristics	blastable when mixed with air
flammability hazard characteristics	flammability in case of open flame, high temperature and oxidant; Combustion produces stimulating smoke
storage and transportation characteristics	warehouse ventilation and low temperature drying; separate from oxidant
fire extinguishing agent	dry powder, dry sand, carbon dioxide, foam, 1211 fire extinguishing agent
spontaneous combustion temperature	608 °F

 

Attribute	Details
Chemical Name	Isobutyl formate
Synonyms	2-Methylpropyl formate, Formic acid isobutyl ester
CAS Number	110-19-0
Molecular Formula	C5H10O2
Molecular Weight	102.13 g/mol
Chemical Structure	<img src=”https://chem.libretexts.org/@api/deki/files/35536/image_thumb_inline_13744_100px.png” /> (Image placeholder, actual structure may vary slightly)
Appearance	Colorless to slightly yellow liquid with a fruity odor
Density	Approximately 0.88 g/cm³ at 20°C
Boiling Point	104-106°C
Flash Point	-14°C (closed cup)
Solubility	Soluble in organic solvents such as ethanol, ether, and benzene; slightly soluble in water
Refractive Index	Approximately 1.385 at 20°C
Chemical Properties	Ester with a characteristic fruity odor; undergoes hydrolysis to form formic acid and isobutanol; reacts with amines to form amides; stable under normal conditions but may be flammable
Applications	Used as a solvent, fragrance, and flavoring agent in foods, beverages, cosmetics, and perfumes; also used in the production of paints, coatings, and plastics; as a reactant in organic synthesis, particularly in the synthesis of pharmaceuticals and pesticides
Safety Information	May be harmful if swallowed or inhaled. May cause skin and eye irritation. Keep away from heat, sparks, and open flames. Store in a cool, dry place, away from incompatible materials. Wear appropriate protective clothing, gloves, and eye/face protection when handling. In case of contact with skin or eyes, rinse immediately with plenty of water and seek medical attention if necessary.

Disclaimer: The above content is for reference and communication only among industry insiders, and does not guarantee its accuracy or completeness. According to relevant laws and regulations and the regulations of this website, units or individuals who purchase related items should obtain valid qualifications and qualification conditions.

If you're ready to take the next step, Leave your message below and we’ll reply soon. 20+ years of chemical manufacturing & export experience, a partner you can trust.