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Dihydro-Alpha-ionone

CAS 31499-72-6C13H22OMW 194.17 g/mol

Dihydro-Alpha-ionone (CAS 31499-72-6) — formula C13H22O, molecular weight 194.17 g/mol; category food flavors.

Product Description

Dihydro-Alpha-ionone (CAS 31499-72-6) is a chemical raw material in the food flavors category. Its molecular formula C13H22O comprises 13 C, 22 H, 1 O atoms. Its molecular weight is about 194.17 g/mol. Reported physicochemical data: boiling point around 234 °C, LogP about 2.8. As a sourcing and distribution partner we help locate and compare this item across domestic and cross-border channels, arranging samples and batch orders with full COA and compliance files.

Product Overview

CAS Number31499-72-6
Molecular FormulaC13H22O
Molecular Weight194.17 g/mol
Boiling Point234 °C
LogP2.8
ApplicationsFragrance Ingredients, Flavouring Agent, Flavoring Agents, 2-Butanone, 4-(2, 6-trimethyl-2-cyclohexen-1-yl)-: ACTIVE
CategoryFlavors

Applications

Documented applications: Fragrance Ingredients, Flavouring Agent, Flavoring Agents, 2-Butanone, 4-(2, 6-trimethyl-2-cyclohexen-1-yl)-: ACTIVE.

Technical Profile

What this product is

Dihydro-Alpha-ionone is a flavoring compound with CAS registry number 31499-72-6 and molecular formula C13H22O (molecular weight 194.17 g/mol), belonging to the food flavors segment of chemical raw materials.

Identification

CAS number: 31499-72-6

Its molecular formula C13H22O comprises 13 C, 22 H, 1 O atoms.

Also known as: Dihydro-Alpha-ionone · 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)butan-2-one

Category: food flavors

Frequently Asked Questions

What is the CAS number of Dihydro-Alpha-ionone?

The CAS registry number of Dihydro-Alpha-ionone is 31499-72-6.

What is the molecular formula and molecular weight of Dihydro-Alpha-ionone?

Molecular formula C13H22O, molecular weight 194.17 g/mol.

What other names is Dihydro-Alpha-ionone known by?

It is also registered under: Dihydro-Alpha-ionone, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)butan-2-one.

What are the documented applications of Dihydro-Alpha-ionone?

Recorded applications: Fragrance Ingredients, Flavouring Agent, Flavoring Agents, 2-Butanone, 4-(2, 6-trimethyl-2-cyclohexen-1-yl)-: ACTIVE.

Which category does Dihydro-Alpha-ionone belong to?

Category: Flavors.

Packaging & documentation

Packaging is agreed per order, from lab-scale packs to bulk, and confirmed with each order rather than fixed on the page. A Certificate of Analysis (COA) ships with every batch and MSDS is available; where the end use carries a regulatory limit (food contact, pharmaceutical or cosmetic), state the standard at enquiry and the grade is set against it.

PubChem Public Data

Independent reference data for Dihydro-Alpha-ionone (CAS 31499-72-6), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number31499-72-6
PubChem CID35821
Molecular formulaC13H22O
Molecular weight194.17 g/mol
IUPAC name4-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-one
InChIKeyJHJCHCSUEGPIGE-UHFFFAOYSA-N
UNII (FDA)20P9Z50AR5
ChEBI IDCHEBI:191058
FEMA number3628
JECFA number393

Computed descriptors

Molecular Weight194.31
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass194.167065321
Monoisotopic Mass194.167065321
Topological Polar Surface Area17.1
Heavy Atom Count14

Physicochemical values on record

Boiling Point234 °C
Density0.919-0.927
Refractive Index1.476-1.482

Documented uses on record

    Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional ClassesFlavoring Agents -> JECFA Flavorings Index

    Synonyms and trade names

    Dihydro-alpha-ionone; 4-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-one; FEMA No. 3628; EINECS 250-657-4; 4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-2-butanone; Dihydro-.alpha.-ionone; 2-BUTANONE, 4-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)-; alpha-Dihydroionone; .alpha.-7,8-Dihydroionone; UNII-20P9Z50AR5; .alpha.-Dihydroionone; 4-(2,2,6-Trimethyl-5-cyclohexen-1-yl)-2-butanone; 4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)butan-2-one; AI3-32481; 20P9Z50AR5; 4-(2,6,6-Trimethyl-2-cyclohexen-1-yl-2-butanone

    Regulatory listings held on file

    Regulatory & Food ContactEU Flavoring substances
    FDA Substance added to food: FLAVORING AGENT OR ADJUVANT
    Flavoring Agents
    FLAVOURING_AGENT: Flavouring Agent
    Fruit
    No safety concern at current levels of intake when used as a flavouring agent
    GHS notification summary85.9% (237 / 276)

    GHS hazard classification

    GHS notification summary85.9% (237 / 276)
    Reported hazard statementsH315 (14.1%), H319 (14.1%), H335 (14.1%)

    This chemical does not meet GHS hazard criteria for 85.9% (237 of 276) of all reports.

    H315 (14.1%): Causes skin irritation [Warning Skin corrosion/irritation]

    What the public record says

    Dihydro-Alpha-ionone is identified by CAS 31499-72-6, molecular formula C13H22O and molecular weight 194.17 g/mol. UNII 20P9Z50AR5; ChEBI 191058; InChIKey JHJCHCSUEGPIGE-UHFFFAOYSA-N. Boiling Point: 234 °C; Density: 0.919-0.927; Refractive Index: 1.476-1.482.

    Source: PubChem / Wikidata; the batch COA governs where values differ.

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