4-(2,6,6-trimethyl-2-cyclohexen-1-yl)butan-2-one (CAS 31499-72-6) — formula C13H22O, molecular weight 194.31; category organic chemicals.
4-(2,6,6-trimethyl-2-cyclohexen-1-yl)butan-2-one (CAS 31499-72-6) is a organic chemicals. Its molecular formula C13H22O comprises 13 C, 22 H, 1 O atoms. Its molecular weight is about 194.31. Reported physicochemical data: boiling point around 234 °C, LogP about 2.8. Organic chemicals are the largest family of carbon-based compounds, widely used across pharmaceuticals, agrochemicals, materials, cosmetics and food industries. Downstream uses span pharmaceutical ingredients, agrochemicals, dyes, solvents, surfactants, food additives and polymer materials. 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.
| CAS Number | 31499-72-6 |
|---|---|
| Molecular Formula | C13H22O |
| Molecular Weight | 194.31 |
| Boiling Point | 234 °C |
| LogP | 2.8 |
| Packaging | 25/50kg woven bags, 20/25/50kg fibre drums, 200kg plastic drums, 1000kg IBC (subject to order confirmation) |
| Applications | agrochemicals, dyes, solvents, food additives and polymer materials. As a sourcing and distribution partner we can help locate and compare this item across domestic and cross-border channels, with COA and compliance files provided before ordering |
| Category | Organic Chemicals |
Documented applications: agrochemicals, dyes, solvents, food additives and polymer materials. As a sourcing and distribution partner we can help locate and compare this item across domestic and cross-border channels, with COA and compliance files provided before ordering.
4-(2,6,6-trimethyl-2-cyclohexen-1-yl)butan-2-one is a carbon-based organic compound with CAS registry number 31499-72-6 and molecular formula C13H22O (molecular weight 194.31), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 31499-72-6
Its molecular formula C13H22O comprises 13 C, 22 H, 1 O atoms.
Also known as: 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)butan-2-one · 7,8-二氢紫罗兰酮 · Dihydro-Alpha-ionone
Category: organic chemicals
The CAS registry number of 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)butan-2-one is 31499-72-6.
Molecular formula C13H22O, molecular weight 194.31.
It is also registered under: 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)butan-2-one, 7,8-二氢紫罗兰酮, Dihydro-Alpha-ionone.
Recorded applications: agrochemicals, dyes, solvents, food additives and polymer materials. As a sourcing and distribution partner we can help locate and compare this item across domestic and cross-border channels, with COA and compliance files provided before ordering.
Category: Organic Chemicals.
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.
Independent reference data for 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)butan-2-one (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.
中文页面: 7,8-二氢紫罗兰酮