2-亚苄基-3-氧代丁酸乙酯

Description

ethyl 2-benzylidene-3-oxobutanoate · CAS 620-80-4 · C13H14O3. UNII NS00120295. LogP: 2.21.

Identification

CAS Registry Number	620-80-4
PubChem CID	249817
Molecular formula	C13H14O3
IUPAC name	ethyl 2-benzylidene-3-oxobutanoate
UNII (FDA)	NS00120295
FEMA number	4597
JECFA number	4597

Computed Descriptors

Molecular Weight	218.25
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	218.094294304
Monoisotopic Mass	218.094294304
Topological Polar Surface Area	43.4
Heavy Atom Count	16
Formal Charge	0

Physical & Chemical Properties

LogP	2.21

Physical description & handling notes

• White powder; Balsamic aroma with tropical fruit notes.
• 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 ETHYL ALPHA-ACETYLCINNAMATE ETHYL alpha-ACETYLCINNAMATE No safety concern at current levels of intake when used as a flavouring agent

Documented Uses

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

Synonyms

620-80-4; Ethyl 2-benzylideneacetoacetate; DTXSID70920524; RefChem:595043; DTXCID60811093; Ethyl 3-oxo-2-(phenylmethylene)butanoate; ethyl 2-benzylidene-3-oxo-butanoate; ethyl (z)-2-benzylidene-3-oxobutanoate; NCIOpen2_003339; SCHEMBL7273126; CHEMBL4548985; DB-073049; NS00120295; F227699

Frequently Asked Questions

What are the CAS number and molecular formula of ethyl 2-benzylidene-3-oxobutanoate?

CAS 620-80-4; molecular formula C13H14O3; molecular weight — g/mol.

What other names is ethyl 2-benzylidene-3-oxobutanoate known by?

620-80-4, Ethyl 2-benzylideneacetoacetate, DTXSID70920524, RefChem:595043, DTXCID60811093, Ethyl 3-oxo-2-(phenylmethylene)butanoate.

What is the regulatory status of ethyl 2-benzylidene-3-oxobutanoate?

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-benzylidene-3-oxobutanoate?

LogP: 2.21.

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.