2-乙酰己酸乙酯

Description

Ethyl 2-acetylhexanoate · CAS 1540-29-0 · C10H18O3. UNII CKN84UW7SK. Boiling Point: 218-220 °C; Density: 0.949-0.959 (20 °C); Refractive Index: 1.425-1.435.

Identification

CAS Registry Number	1540-29-0
PubChem CID	95466
Molecular formula	C10H18O3
IUPAC name	ethyl 2-acetylhexanoate
UNII (FDA)	CKN84UW7SK
FEMA number	4452
JECFA number	1953

Computed Descriptors

Molecular Weight	186.25
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Exact Mass	186.125594432
Monoisotopic Mass	186.125594432
Topological Polar Surface Area	43.4
Heavy Atom Count	13
Formal Charge	0

Physical & Chemical Properties

Boiling Point	218-220 °C
Density	0.949-0.959 (20 °C)
Refractive Index	1.425-1.435

Physical description & handling notes

• Colourless clear liquid; Fruity wine-like aroma
• Practically insoluble or insoluble in water
• Soluble (in ethanol)

Regulatory Status

Regulatory & Food Contact	FDA Substance added to food: FLAVORING AGENT OR ADJUVANT FLAVOURING_AGENT: Flavouring Agent Flavoring Agents Fruit No safety concern at current levels of intake when used as a flavouring agent TRS 960-JECFA 73/71

Documented Uses

• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index

Synonyms

Ethyl 2-acetylhexanoate; 1540-29-0; Ethyl 2-butylacetoacetate; Hexanoic acid, 2-acetyl-, ethyl ester; 2-Acetylhexanoic Acid Ethyl Ester; Ethyl .alpha.-butylacetoacetate; CKN84UW7SK; NSC-25322; EINECS 216-271-5; NSC-11771; AI3-02543; FEMA NO. 4452; 3-CARBETHOXY-2-HEPTANONE; DTXSID20862687; ETHYL 2-BUTYLACETYLACETATE; ETHYL 2-BUTYL-3-OXOBUTANOATE

Frequently Asked Questions

What are the CAS number and molecular formula of Ethyl 2-acetylhexanoate?

CAS 1540-29-0; molecular formula C10H18O3; molecular weight — g/mol.

What other names is Ethyl 2-acetylhexanoate known by?

Ethyl 2-acetylhexanoate, 1540-29-0, Ethyl 2-butylacetoacetate, Hexanoic acid, 2-acetyl-, ethyl ester, 2-Acetylhexanoic Acid Ethyl Ester, Ethyl .alpha.-butylacetoacetate.

What is the regulatory status of Ethyl 2-acetylhexanoate?

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

What are the key physical properties of Ethyl 2-acetylhexanoate?

Boiling Point: 218-220 °C; Density: 0.949-0.959 (20 °C); Refractive Index: 1.425-1.435.

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.