3-乙氧基-3,7-二甲基辛-1,6-二烯

Description

Ethyl linalyl ether is identified by CAS 72845-33-1, molecular formula C12H22O and molecular weight 182.17 g/mol. UNII W8H09IT6ZA; ChEBI 188361; InChIKey GSFBRCUXDDCNKV-UHFFFAOYSA-N. Boiling Point: 227-228º; Density: 0.829-0.832 (20 °C); Refractive Index: 1.444-1.447.

Identification

CAS Registry Number	72845-33-1
PubChem CID	175211
Molecular formula	C12H22O
Molecular weight	182.17 g/mol
IUPAC name	3-ethoxy-3,7-dimethylocta-1,6-diene
InChIKey	GSFBRCUXDDCNKV-UHFFFAOYSA-N
UNII (FDA)	W8H09IT6ZA
ChEBI ID	CHEBI:188361
FEMA number	4591
JECFA number	2134

Computed Descriptors

Molecular Weight	182.30
XLogP3	3.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	6
Exact Mass	182.167065321
Monoisotopic Mass	182.167065321
Topological Polar Surface Area	9.2
Heavy Atom Count	13
Formal Charge	0

Physical & Chemical Properties

Boiling Point	227-228º
Density	0.829-0.832 (20 °C)
Refractive Index	1.444-1.447

Physical description & handling notes

• Clear colourless liquid; pleasant floral aroma
• Practically insoluble to insoluble in water; soluble in DMSO
• Sparingly soluble (in ethanol)

Regulatory Status

Regulatory & Food Contact	FDA Substance added to food: FLAVORING AGENT OR ADJUVANT FLAVOURING_AGENT: Flavouring Agent Flavoring Agents Floral No safety concern at current levels of intake when used as a flavouring agent TRS 974-JECFA 76

Documented Uses

• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• 1,6-Octadiene, 3-ethoxy-3,7-dimethyl-: INACTIVE

Synonyms

ethyl linalyl ether; 3-ethoxy-3,7-dimethylocta-1,6-diene; 3-Ethoxy-3,7-dimethyl-1,6-octadiene; linalyl ethyl ether; 1,6-Octadiene, 3-ethoxy-3,7-dimethyl-; 72845-33-1; UNII-W8H09IT6ZA; W8H09IT6ZA; LINALOOL ETHYL ETHER; FEMA NO. 4591; DTXSID30868190; ETHYL LINALYL ETHER, (+/)-; 3,7-DIMETHYL-3-ETHOXY-1,6-OCTADIENE; ETHER, 1,5-DIMETHYL-1-VINYL-4-HEXENYL ETHYL; RefChem:138979; DTXCID90816319

Frequently Asked Questions

What are the CAS number and molecular formula of Ethyl linalyl ether?

CAS 72845-33-1; molecular formula C12H22O; molecular weight 182.17 g/mol.

What other names is Ethyl linalyl ether known by?

ethyl linalyl ether, 3-ethoxy-3,7-dimethylocta-1,6-diene, 3-Ethoxy-3,7-dimethyl-1,6-octadiene, linalyl ethyl ether, 1,6-Octadiene, 3-ethoxy-3,7-dimethyl-, 72845-33-1.

What is the regulatory status of Ethyl linalyl ether?

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 linalyl ether?

Boiling Point: 227-228º; Density: 0.829-0.832 (20 °C); Refractive Index: 1.444-1.447.

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.