CAS Number1125-21-9
Synonyms2,6,6-Trimethyl-2-cyclohexen-1,4-dione; 4-Oxoisophorone,Ketoisophorone; EINECS 214-406-2; 2,6,6-trimethylcyclohex-2-ene-1,4-dione; MFCD00043119; 4-Oxoisophorone; 4-Ketoisophorone; 2,6,6-Trimethyl-2-cyclohexene-1,4-dione
Molecular FormulaC9H12O2
Molecular Weight152.19
Purity≥98%
Density1.0±0.1 g/cm3
Boiling Point222 °C (lit.)
Melting Point26-28 °C (lit.)
AppearanceTransparent yellow to orange liquid or low melting point solid
EINECS214-406-2
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 1125-21-9 |
| Catalog No. | 2A-9002032 |
| Chinese Name | 茶香酮 |
| Synonyms | 2,6,6-Trimethyl-2-cyclohexen-1,4-dione; 4-Oxoisophorone,Ketoisophorone; EINECS 214-406-2; 2,6,6-trimethylcyclohex-2-ene-1,4-dione; MFCD00043119; 4-Oxoisophorone; 4-Ketoisophorone; 2,6,6-Trimethyl-2-cyclohexene-1,4-dione |
| Molecular Formula | C9H12O2 |
| Molecular Weight | 152.19 |
| Purity | ≥98 |
| Density | 1.0±0.1 g/cm3 |
| Boiling Point | 222 °C (lit.) |
| Melting Point | 26-28 °C (lit.) |
| Appearance | Transparent yellow to orange liquid or low melting point solid |
| Storage Condition | Keep the receptacle sealed, stored in a cool, dry |
| Application | Ketoisophorone (4-Oxoisophorone) is a key intermediate in the synthesis of carotenoids and flavoring agents. Ketoisophorone is an industrially important cyclic lactone. |
| EINECS | 214-406-2 |
| HTC | 29142900 |
| PubChem ID | 24901693 |
| MDL Number | MFCD00043119 |
| SMILES | CC1=CC(=O)CC(C)(C)C1=O |
| InChI | 1S/C9H12O2/c1-6-4-7(10)5-9(2,3)8(6)11/h4H,5H2,1-3H3 |
| InChI Key | AYJXHIDNNLJQDT-UHFFFAOYSA-N |
| Beilstein/REAXYS | 2207030 |
| NACRES Code | NA.21 |
| UNSPSC | 12164502 |
| MSDS | msds/2032_1_1125_21_9.pdf |
| Bioactivity | Ketoisophorone (4-Oxoisophorone) is a key intermediate in the synthesis of carotenoids and flavouring agents. Ketoisophorone is an industrially important cyclic endione[1]. Related Catalog Research Areas >> Others Signaling Pathways >> Others >> Others References [1]. Hegazy ME, et al. Ketoisophorone transformation by Marchantia polymorpha and Nicotiana tabacum cultured cells. Z Naturforsch C. 2008 May-Jun;63(5-6):403-8. Chemical & Physical Properties Density 1.0±0.1 g/cm3 Boiling Point 214.2±0.0 °C at 760 mmHg Melting Point 26-28 °C(lit.) Molecular Formula C9H12O2 Molecular Weight 152.190 Flash Point 96.1±0.0 °C Exact Mass 152.083725 PSA 34.14000 LogP 0.76 Vapour Pressure 0.2±0.4 mmHg at 25°C Index of Refraction 1.469 InChIKey AYJXHIDNNLJQDT-UHFFFAOYSA-N SMILES CC1=CC(=O)CC(C)(C)C1=O |
| Use of | Ketoisophorone (4-Oxoisophorone) is a key intermediate in the synthesis of carotenoids and flavouring agents. Ketoisophorone is an industrially important cyclic endione[1]. Properties Name 2,6,6-Trimethyl-2-cyclohexene-1,4-dione Synonym More Synonyms 2,6,6-Trimethyl-2-cyclohexene-1,4-dione Biological Activity Description Ketoisophorone (4-Oxoisophorone) is a key intermediate in the synthesis of carotenoids and flavouring agents. Ketoisophorone is an industrially important cyclic endione[1]. Related Catalog Research Areas >> Others Signaling Pathways >> Others >> Others References [1]. Hegazy ME, et al. Ketoisophorone transformation by Marchantia polymorpha and Nicotiana tabacum cultured cells. Z Naturforsch C. 2008 May-Jun;63(5-6):403-8. Chemical & Physical Properties Molecular Formula C9H12O2 Exact Mass 152.083725 PSA 34.14000 Index of Refraction 1.469 InChIKey AYJXHIDNNLJQDT-UHFFFAOYSA-N SMILES CC1=CC(=O)CC(C)(C)C1=O |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 5.5%. Ordinary tariff: 30.0% |
| Transport Info | Product name: Purity: 95.0% |
| MSDS Transport Info | Module 14. Shipping information United Nations classification: inconsistent with United Nations classification standards UN number: not specified |
| Related Products in Specialty Chemicals | ||
|---|---|---|
| 2,5-Dimethoxyphenethylamine hydrochloride | 3166-74-3 | 2A-9002019 |
| 2,5-Dimethoxythiophenol | 1483-27-8 | 2A-9002021 |
| 2,5-Dimethyl-1,4-dithiane-2,5-diol | 55704-78-4 | 2A-9002023 |
| 2,5-Dimethylphenylmethylsulfone | 2A-102028 | 2A-9002028 |
| 2,5-Dimethylthiophenol | 4001-61-0 | 2A-9002031 |
| 2,6-Bis(2,2,2-trifluoroethoxy)-3-bromobenzonitrile | 175204-13-4 | 2A-9002033 |
| 2,6-Bis(2,2,2-trifluoroethoxy)benzonitrile | 93624-57-8 | 2A-9002034 |
| 2,6-Dibromo-4-(trifluoromethoxy)aniline | 88149-49-9 | 2A-9002045 |
| 2,6-Dibromo-4-fluoroaniline | 344-18-3 | 2A-9002046 |
| 2,6-Dibromo-4-fluoroiodobenzene | 62720-29-0 | 2A-9002047 |
| Browse all Specialty Chemicals products » | ||
Phone:
630-322-8886
630-322-8887
Email:
Office Locations:
Chicago, IL, USA
San Francisco, CA, USA
EN
SDS