烯丙紫酮

Description

allylionone · CAS 79-78-7 · C16H24O. UNII NS00011942.

Identification

CAS Registry Number	79-78-7
PubChem CID	6612
Molecular formula	C16H24O
IUPAC name	1-(2,6,6-trimethylcyclohex-2-en-1-yl)hepta-1,6-dien-3-one
UNII (FDA)	NS00011942

Computed Descriptors

Molecular Weight	232.36
XLogP3	4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Exact Mass	232.182715385
Monoisotopic Mass	232.182715385
Topological Polar Surface Area	17.1
Heavy Atom Count	17
Formal Charge	0

Regulatory Status

Regulatory & Food Contact	FLAVOURING_AGENT: Flavouring Agent No safety concern at current levels of intake when used as a flavouring agent TRS 891-JECFA 51/96 FAS 42-JECFA 51/335

Documented Uses

• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Synonyms

Allyl ionone; 1-(2,6,6-trimethylcyclohex-2-enyl)hepta-1,6-dien-3-one; 1,6-Heptadien-3-one,1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-; 1-(2,6,6-trimethylcyclohex-2-en-1-yl)hepta-1,6-dien-3-one; SCHEMBL232006; FXCYGAGBPZQRJE-UHFFFAOYSA-N; AAA07978; DB-353833; NS00011942

Frequently Asked Questions

What are the CAS number and molecular formula of allylionone?

CAS 79-78-7; molecular formula C16H24O; molecular weight — g/mol.

What other names is allylionone known by?

Allyl ionone, 1-(2,6,6-trimethylcyclohex-2-enyl)hepta-1,6-dien-3-one, 1,6-Heptadien-3-one,1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, 1-(2,6,6-trimethylcyclohex-2-en-1-yl)hepta-1,6-dien-3-one, SCHEMBL232006, FXCYGAGBPZQRJE-UHFFFAOYSA-N.

What is the regulatory status of allylionone?

Documented regulatory listings: FLAVOURING_AGENT: Flavouring Agent; No safety concern at current levels of intake when used as a flavouring agent; TRS 891-JECFA 51/96.

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.