紫罗兰酮

Description

Alpha-Ionone is identified by CAS 127-41-3, molecular formula C13H20O and molecular weight 192.15 g/mol. UNII I9V075M61R; ChEBI 32319; InChIKey UZFLPKAIBPNNCA-BQYQJAHWSA-N. Boiling Point: 258 °C at 760 mm Hg; Boiling Point: 237 °C; Flash Point: 118 °C (244 °F) - closed cup.

Identification

CAS Registry Number	127-41-3
PubChem CID	5282108
Molecular formula	C13H20O
Molecular weight	192.15 g/mol
IUPAC name	(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
InChIKey	UZFLPKAIBPNNCA-BQYQJAHWSA-N
UNII (FDA)	I9V075M61R
ChEBI ID	CHEBI:32319
FEMA number	2594
JECFA number	388

Computed Descriptors

Molecular Weight	192.30
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	192.151415257
Monoisotopic Mass	192.151415257
Topological Polar Surface Area	17.1
Heavy Atom Count	14
Formal Charge	0

Physical & Chemical Properties

Boiling Point	258 °C at 760 mm Hg
Boiling Point	237 °C
Flash Point	118 °C (244 °F) - closed cup
Solubility	In water, 106 mg/L at 25 °C
Density	0.9319 at 20/4 °C
Density	0.927-0.933
LogP	log Kow = 3.85
Refractive Index	1.497-1.502

Physical description & handling notes

• Liquid; CBI
• colourless to pale-yellow liquid with a warm, woody, violet-floral odour
• Colorless to slightly yellow liquid
• It has a warm, woody, floral odor with balsamic and sweet tones and is strongly reminiscent of violet flowers.
• Sweet-floral odor, reminiscent of violets
• Woody, floral, berry, fruity with powdery nuances

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Violet, Wood JECFA ADI: 0-0.1 mg/kg bw (1984)

GHS Hazard Classification

Reported hazard statements	H315, H317, H334

Documented Uses

• Table: Reported uses (ppm): (Flavor and Extract Manufacturers' Association, 1994) [Table#8259]
• Fragrance ingredient in perfumery, in cosmetics and personal care products, in household cleaners and detergents. Flavoring agent in beverages, baked goods, and candies.
• Used as an ingredient in dog/cat repellent; attracts adult rose chafers (a beetle).
• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• Information on 13 consumer products that contain Alpha-Ionone in the following categories is provided:

Synonyms

ALPHA-IONONE; 127-41-3; (E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one; (E)-alpha-Ionone; trans-alpha-Ionone; alpha-(E)-ionone; alpha-Ionon; (3E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one; FEMA No. 2594; alpha-Cyclocitrylideneacetone; DTXSID0035160; I9V075M61R; DTXCID8015160; CHEBI:32319; (E)-(1)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one; (E)-4-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)-3-BUTEN-2-ONE

Frequently Asked Questions

What are the CAS number and molecular formula of Alpha-Ionone?

CAS 127-41-3; molecular formula C13H20O; molecular weight 192.15 g/mol.

What other names is Alpha-Ionone known by?

ALPHA-IONONE, 127-41-3, (E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one, (E)-alpha-Ionone, trans-alpha-Ionone, alpha-(E)-ionone.

What is the regulatory status of Alpha-Ionone?

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

Is Alpha-Ionone classified as hazardous?

Hazard statements reported: H315, H317, H334.

What are the key physical properties of Alpha-Ionone?

Boiling Point: 258 °C at 760 mm Hg; Boiling Point: 237 °C; Flash Point: 118 °C (244 °F) - closed cup; Solubility: In water, 106 mg/L at 25 °C.

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.