ethyl isocaproate

Description

ethyl isocaproate · CAS 25415-67-2 · C8H16O2. UNII DZX6U00Q87. Boiling Point: 160.00 to 163.00 °C. @ 760.00 mm Hg; Boiling Point: 153-155 °CC; Density: 0.865 - 0.875.

Identification

CAS Registry Number	25415-67-2
PubChem CID	117477
Molecular formula	C8H16O2
IUPAC name	ethyl 4-methylpentanoate
UNII (FDA)	DZX6U00Q87
FEMA number	4343
JECFA number	2283

Computed Descriptors

Molecular Weight	144.21
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	144.115029749
Monoisotopic Mass	144.115029749
Topological Polar Surface Area	26.3
Heavy Atom Count	10
Formal Charge	0

Physical & Chemical Properties

Boiling Point	160.00 to 163.00 °C. @ 760.00 mm Hg
Boiling Point	153-155 °CC
Density	0.865 - 0.875
Refractive Index	1.402 - 1.409

Physical description & handling notes

• Clear to pale yellow liquid / Fruity tropical aroma
• Practically insoluble or insoluble
• Insoluble (in ethanol)

Regulatory Status

Regulatory & Food Contact	FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent No safety concern at current levels of intake when used as a flavouring agent TRS 1050-JECFA 96/31 FAS 87-JECFA 96/185

GHS Hazard Classification

Reported hazard statements	H226 (100%)

Documented Uses

• Flavoring Agents -> JECFA Flavorings Index
• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Pentanoic acid, 4-methyl-, ethyl ester: INACTIVE

Synonyms

Ethyl 4-methylvalerate; Ethyl 4-methylpentanoate; Ethyl isocaproate; Pentanoic acid, 4-methyl-, ethyl ester; 4-Methylvaleric Acid Ethyl Ester; Valeric acid, 4-methyl-, ethyl ester; UNII-DZX6U00Q87; Ethyl iso-hexanoate; DZX6U00Q87; EINECS 246-955-9; AI3-33648; DTXSID6067094; FEMA NO. 4343; ETHYL 4-METHYLPENTANOATE [FHFI]; RefChem:138781; Ethyl 4-methylpentanoic acid

Frequently Asked Questions

What are the CAS number and molecular formula of ethyl isocaproate?

CAS 25415-67-2; molecular formula C8H16O2; molecular weight — g/mol.

What other names is ethyl isocaproate known by?

Ethyl 4-methylvalerate, Ethyl 4-methylpentanoate, Ethyl isocaproate, Pentanoic acid, 4-methyl-, ethyl ester, 4-Methylvaleric Acid Ethyl Ester, Valeric acid, 4-methyl-, ethyl ester.

What is the regulatory status of ethyl isocaproate?

Documented regulatory listings: FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents; FLAVOURING_AGENT: Flavouring Agent.

Is ethyl isocaproate classified as hazardous?

Hazard statements reported: H226.

What are the key physical properties of ethyl isocaproate?

Boiling Point: 160.00 to 163.00 °C. @ 760.00 mm Hg; Boiling Point: 153-155 °CC; Density: 0.865 - 0.875; Refractive Index: 1.402 - 1.409.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.