2,4,7-癸三烯酸乙酯

Description

Ethyl 2,4,7-decatrienoate is identified by CAS 78417-28-4, molecular formula C12H18O2 and molecular weight 194.13 g/mol. UNII H59MQA278Y; InChIKey KRCQDQXKPOKJOE-UHFFFAOYSA-N. Boiling Point: 134 °C (14 mm Hg); Density: 0.933-0.939; Refractive Index: 1.547-1.554.

Identification

CAS Registry Number	78417-28-4
PubChem CID	3018771
Molecular formula	C12H18O2
Molecular weight	194.13 g/mol
IUPAC name	ethyl deca-2,4,7-trienoate
InChIKey	KRCQDQXKPOKJOE-UHFFFAOYSA-N
UNII (FDA)	H59MQA278Y
FEMA number	3832
JECFA number	1193

Computed Descriptors

Molecular Weight	194.27
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	7
Exact Mass	194.130679813
Monoisotopic Mass	194.130679813
Topological Polar Surface Area	26.3
Heavy Atom Count	14
Formal Charge	0

Physical & Chemical Properties

Boiling Point	134 °C (14 mm Hg)
Density	0.933-0.939
Refractive Index	1.547-1.554

Physical description & handling notes

• colourless to pale yellow liquid; light fatty aroma
• Soluble in water;
• soluble (in ethanol)

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Dairy No safety concern at current levels of intake when used as a flavouring agent
GHS notification summary	3.8% (1 / 26)

GHS Hazard Classification

GHS notification summary	3.8% (1 / 26)
Reported hazard statements	H317 (96.2%), H315, H400, H411

Documented Uses

• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• 2,4,7-Decatrienoic acid, ethyl ester: ACTIVE

Synonyms

78417-28-4; Ethyl 2,4,7-decatrienoate; DTXSID30868478; 2,4,7-Decatrienoic acid, ethyl ester; RefChem:138524; FEMA NO. 3832; DTXCID80816580; ETHYL 2,4,7-DECATRIENOATE [FHFI]; 422-590-2; 638-984-4; FEMA 3832; H59MQA278Y; UNII-H59MQA278Y; ethyl deca-2,4,7-trienoate; SCHEMBL4411658; KRCQDQXKPOKJOE-UHFFFAOYSA-N

Frequently Asked Questions

What are the CAS number and molecular formula of Ethyl 2,4,7-decatrienoate?

CAS 78417-28-4; molecular formula C12H18O2; molecular weight 194.13 g/mol.

What other names is Ethyl 2,4,7-decatrienoate known by?

78417-28-4, Ethyl 2,4,7-decatrienoate, DTXSID30868478, 2,4,7-Decatrienoic acid, ethyl ester, RefChem:138524, FEMA NO. 3832.

What is the regulatory status of Ethyl 2,4,7-decatrienoate?

Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.

Is Ethyl 2,4,7-decatrienoate classified as hazardous?

3.8% of GHS notifications report no hazard classification (1 of 26).

What are the key physical properties of Ethyl 2,4,7-decatrienoate?

Boiling Point: 134 °C (14 mm Hg); Density: 0.933-0.939; Refractive Index: 1.547-1.554.

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.