Dihydro-Alpha-ionone (CAS 31499-72-6) — formula C13H22O, molecular weight 194.17 g/mol.
| CAS Number | 31499-72-6 |
|---|---|
| Molecular Formula | C13H22O |
| Molecular Weight | 194.17 g/mol |
| Boiling Point | 234 °C |
| LogP | 2.8 |
| Applications | Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: 2-Butanone, 4-(2, 6, 6-trimethyl-2-cyclohexen-1-yl)-: ACTIVE |
Documented applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: 2-Butanone, 4-(2, 6, 6-trimethyl-2-cyclohexen-1-yl)-: ACTIVE.
Dihydro-Alpha-ionone is a chemical compound with CAS registry number 31499-72-6 and molecular formula C13H22O (molecular weight 194.17 g/mol).
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
The CAS registry number of Dihydro-Alpha-ionone is 31499-72-6.
Molecular formula C13H22O, molecular weight 194.17 g/mol.
It is also registered under: Dihydro-Alpha-ionone, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)butan-2-one.
Recorded applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: 2-Butanone, 4-(2, 6, 6-trimethyl-2-cyclohexen-1-yl)-: ACTIVE.
Independent reference data for Dihydro-Alpha-ionone (CAS 31499-72-6), compiled from public chemistry databases.
| CAS Registry Number | 31499-72-6 |
|---|---|
| PubChem CID | 35821 |
| Molecular formula | C13H22O |
| Molecular weight | 194.17 g/mol |
| IUPAC name | 4-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-one |
| InChIKey | JHJCHCSUEGPIGE-UHFFFAOYSA-N |
| UNII (FDA) | 20P9Z50AR5 |
| ChEBI ID | CHEBI:191058 |
| FEMA number | 3628 |
| JECFA number | 393 |
| Molecular Weight | 194.31 |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 3 |
| Exact Mass | 194.167065321 |
| Monoisotopic Mass | 194.167065321 |
| Topological Polar Surface Area | 17.1 |
| Heavy Atom Count | 14 |
| Boiling Point | 234 °C |
|---|---|
| Density | 0.919-0.927 |
| Refractive Index | 1.476-1.482 |
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 & Food Contact | EU 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 summary | 85.9% (237 / 276) |
| GHS notification summary | 85.9% (237 / 276) |
|---|---|
| Reported hazard statements | H315 (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]
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.
Supplier: Jinan Shenghe Chemical Co., Ltd.
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