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Description

Ethylene Brassylate is identified by CAS 105-95-3, molecular formula C15H26O4 and molecular weight 270.18 g/mol. UNII 9A87HC7ROD; ChEBI 168721; InChIKey XRHCAGNSDHCHFJ-UHFFFAOYSA-N. Boiling Point: 138.00 to 142.00 °C. @ 1.00 mm Hg; Boiling Point: 138-142 °C (1 mm Hg); Melting Point: 0 - 7 °C.

Identification

CAS Registry Number	105-95-3
PubChem CID	61014
Molecular formula	C15H26O4
Molecular weight	270.18 g/mol
IUPAC name	1,4-dioxacycloheptadecane-5,17-dione
InChIKey	XRHCAGNSDHCHFJ-UHFFFAOYSA-N
UNII (FDA)	9A87HC7ROD
ChEBI ID	CHEBI:168721
FEMA number	3543
JECFA number	626

Computed Descriptors

Molecular Weight	270.36
XLogP3	4.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	270.18310931
Monoisotopic Mass	270.18310931
Topological Polar Surface Area	52.6
Heavy Atom Count	19
Formal Charge	0

Physical & Chemical Properties

Boiling Point	138.00 to 142.00 °C. @ 1.00 mm Hg
Boiling Point	138-142 °C (1 mm Hg)
Melting Point	0 - 7 °C
Density	1.040-1.045
Refractive Index	1.468-1.474

Physical description & handling notes

• Liquid; Dry Powder; Liquid; CBI
• Liquid
• colourless to pale yellow liquid with musk-like odour
• insoluble in water; soluble in alcohol
• 1 mL in 1 mL alcohol (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 Floral No safety concern at current levels of intake when used as a flavouring agent
GHS notification summary	73.8% (1521 / 2061)

GHS Hazard Classification

GHS notification summary	73.8% (1521 / 2061)
Reported hazard statements	H411 (23.3%), H401

Documented Uses

• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• Information on 234 consumer products that contain Ethylene brassylate in the following categories is provided:
• 2023: 10,000,000 - <25,000,000 lb
• 2022: 10,000,000 - <25,000,000 lb
• 2021: 10,000,000 - <25,000,000 lb

Synonyms

Ethylene brassylate; 1,4-DIOXACYCLOHEPTADECANE-5,17-DIONE; 105-95-3; Ethylene undecane dicarboxylate; Tridecanedioic acid, cyclic ethylene ester; FEMA No. 3543; DTXSID1044774; 9A87HC7ROD; 1,1'-Undecanedicarboxylic acid, ester with ethylene glycol; NSC-46155; DTXCID9024774; RefChem:416897; 203-347-8; Astratone; Musk T; Emeressence 1150

Frequently Asked Questions

What are the CAS number and molecular formula of Ethylene Brassylate?

CAS 105-95-3; molecular formula C15H26O4; molecular weight 270.18 g/mol.

What other names is Ethylene Brassylate known by?

Ethylene brassylate, 1,4-DIOXACYCLOHEPTADECANE-5,17-DIONE, 105-95-3, Ethylene undecane dicarboxylate, Tridecanedioic acid, cyclic ethylene ester, FEMA No. 3543.

What is the regulatory status of Ethylene Brassylate?

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

Is Ethylene Brassylate classified as hazardous?

73.8% of GHS notifications report no hazard classification (1521 of 2061).

What are the key physical properties of Ethylene Brassylate?

Boiling Point: 138.00 to 142.00 °C. @ 1.00 mm Hg; Boiling Point: 138-142 °C (1 mm Hg); Melting Point: 0 - 7 °C; Density: 1.040-1.045.

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.