CAS 110-45-2PubChem CID 8052
Isoamyl formate
Isoamyl formate is the formate ester of isoamylol. It is functionally related to an isoamylol. — ChEBI
- IUPAC name
- 3-methylbutyl formate
- Molecular formula
- C6H12O2
- Molecular weight
- 116.16 g/mol
- Exact mass
- 116.083729621 Da
- XLogP3
- 1.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen-bond donors
- 0
- Hydrogen-bond acceptors
- 2
- Covalent units
- 1
- Defined stereocentres
- 0
Also known as
Isopentyl formate1-Butanol, 3-methyl-, formate3-Methyl-1-butyl formateFEMA No. 20691-Butanol, 3-methyl-, 1-formateiso-Amyl FormateNSC 6530EINECS 203-769-2
16 more reported names
BRN 17398933-Methyl-1-butanol 1-formateUNII-50L53EN043AI3-15291NSC-653050L53EN043ISOAMYL FORMATE [MI]ISOAMYL FORMATE [FCC]ISOAMYL FORMATE [FHFI]CHEBI:317264-02-00-00030 (Beilstein Handbook Reference)UN 1109FORMIC ACID, 3-METHYLBUTYL ESTERIsopentyl formic acidIsoamyl methanoic acidIsopentyl methanoic acid
External database identifiers
- ChEBI:CHEBI:31726
- EPA DTXSID:DTXSID00861734
Evidence from additional scientific databases
NIH PubChem PUG-View
Exact identifier match8052
Attributed physical-property, hazard, environmental and use annotations.
- Boiling Point: 123.00 to 124.00 °C. @ 760.00 mm Hg Source: Human Metabolome Database (HMDB)
- Boiling Point: 124 °C Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Density: 0.881-0.889 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Melting Point: -93.5 °C Source: Human Metabolome Database (HMDB)
- Physical Description: Liquid Source: Human Metabolome Database (HMDB)
- Physical Description: colourless liquid with a plum-like odour Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Refractive Index: 1.396-1.400 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: 3.5 mg/mL at 25 °C Source: Human Metabolome Database (HMDB)
- Solubility: soluble in ethanol, most fixed oils and propylene glycol, slightly soluble in water, insoluble in glycerol Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: 1ml in 40ml 60% ethanol (in ethanol) Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Signal: Danger Source: Regulation (EC) No 1272/2008 of the European Parliament and of the Council
- GHS Hazard Statements: H225: Highly Flammable liquid and vapor [Danger Flammable liquids]; H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335: May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] Source: Regulation (EC) No 1272/2008 of the European Parliament and of the Council
- Precautionary Statement Codes: P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P319, P337+P317, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement) Source: Regulation (EC) No 1272/2008 of the European Parliament and of the Council
- Note: This chemical does not meet GHS hazard criteria for 0.7% (11 of 1650) of reports. Source: European Chemicals Agency (ECHA)
- Signal: Danger Source: European Chemicals Agency (ECHA)
- GHS Hazard Statements: H225 (96.6%): Highly Flammable liquid and vapor [Danger Flammable liquids]; H319 (99.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (99.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] Source: European Chemicals Agency (ECHA)
- Precautionary Statement Codes: P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P319, P337+P317, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement) Source: European Chemicals Agency (ECHA)
- ECHA C&L Notifications Summary: Aggregated GHS information provided per 1650 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.; Reported as not meeting GHS hazard criteria per 11 of 1650 reports by companies.; There are 15 notifications provided by 1639 of 1650 reports by companies with hazard statement code(s).; Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. Source: European Chemicals Agency (ECHA)
- Signal: Danger Source: NITE-CMC
- GHS Hazard Statements: H225: Highly Flammable liquid and vapor [Danger Flammable liquids] Source: NITE-CMC
- Precautionary Statement Codes: P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement) Source: NITE-CMC
- Signal: Danger Source: Hazardous Chemical Information System (HCIS), Safe Work Australia
Mapped by: Existing checksum-valid CAS to unique PubChem CID match. Retrieved: 2026-08-31. Open source record
Scientific classifications and hazard annotations provide context and do not replace the market-specific regulatory decision shown above.
Additional source coverage and match status
| Source | Result | Checked |
|---|---|---|
| NIH PubChem PUG-View | Exact match | 2026-08-31 |
A recorded no-match is useful evidence that the source was checked; it is not a claim that the substance does not exist elsewhere.
Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.