CAS Number78-59-1
SynonymsIzoforon; 3,5,5-trimethylcyclohex-2-en-1-one; 3,5,5-trimethyl-cyclohex-2-en-1-one; 3,5,5-Trimethyl-2-cyclohexen-1-one; ISOPHORONE; 3,3,5-trimethyl-cyclohex-5-en-1-one; Isoforone; 3,5,5-trimethyl-2-cyclohexenone; EINECS 201-126-0; Isoforon; MFCD00001584
Molecular FormulaC9H14O
Molecular Weight138.21
Purity97%
Density0.9±0.1 g/cm3
Boiling Point213-214 °C (lit.)
Melting Point−8 °C (lit.)
Appearanceliquid
EINECS201-126-0
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 78-59-1 |
| Catalog No. | 2A-9008072 |
| Chinese Name | 异佛尔酮 |
| Synonyms | Izoforon; 3,5,5-trimethylcyclohex-2-en-1-one; 3,5,5-trimethyl-cyclohex-2-en-1-one; 3,5,5-Trimethyl-2-cyclohexen-1-one; ISOPHORONE; 3,3,5-trimethyl-cyclohex-5-en-1-one; Isoforone; 3,5,5-trimethyl-2-cyclohexenone; EINECS 201-126-0; Isoforon; MFCD00001584 |
| Molecular Formula | C9H14O |
| Molecular Weight | 138.21 |
| Purity | 97 |
| Density | 0.9±0.1 g/cm3 |
| Boiling Point | 213-214 °C (lit.) |
| Melting Point | −8 °C (lit.) |
| Appearance | liquid |
| Storage Condition | This product should be kept sealed. |
| Application | Isophorone is an α,β-unsaturated cyclic ketone that can be used as a precursor for polymers. |
| EINECS | 201-126-0 |
| HTC | 2914190090 |
| PubChem ID | 24895951 |
| MDL Number | MFCD00001584 |
| SMILES | CC1=CC(=O)CC(C)(C)C1 |
| InChI | 1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3 |
| InChI Key | HJOVHMDZYOCNQW-UHFFFAOYSA-N |
| Beilstein/REAXYS | 1280721 |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| Hazard Symbols | 6.1 |
| MSDS | msds/8072_1_78_59_1.pdf |
| Bioactivity | Isophorone, an α,β-unsaturated cyclic ketone, is used as a precursor to polymers[1]. Related Catalog Research Areas >> Others Signaling Pathways >> Others >> Others In Vitro The selective oxidation of isophorone to 4-hydroxisophorone, which is an important flavour and fragrance compound as well as a synthetic intermediate for pigments and drug molecules, is a suitable target for biocatalytic oxidation[1]. References [1]. Dezvarei S, et al. Stereoselective hydroxylation of isophorone by variants of the cytochromes P450 CYP102A1 and CYP101A1. Enzyme Microb Technol. 2018 Apr;111:29-37. Chemical & Physical Properties Density 0.9±0.1 g/cm3 Boiling Point 215.2±0.0 °C at 760 mmHg Melting Point −8 °C(lit.) Molecular Formula C9H14O Molecular Weight 138.207 Flash Point 84.4±0.0 °C Exact Mass 138.104462 PSA 17.07000 LogP 2.07 Vapour density 4.77 (vs air) Vapour Pressure 0.2±0.4 mmHg at 25°C Index of Refraction 1.455 InChIKey HJOVHMDZYOCNQW-UHFFFAOYSA-N SMILES CC1=CC(=O)CC(C)(C)C1 Stability Stable. Substances to be avoided include strong bases, strong acids and strong oxidizing agents. |
| Use of | Isophorone, an α,β-unsaturated cyclic ketone, is used as a precursor to polymers[1]. Properties Articles28 Name isophorone Synonym More Synonyms Isophorone Biological Activity Description Isophorone, an α,β-unsaturated cyclic ketone, is used as a precursor to polymers[1]. Related Catalog Research Areas >> Others Signaling Pathways >> Others >> Others In Vitro The selective oxidation of isophorone to 4-hydroxisophorone, which is an important flavour and fragrance compound as well as a synthetic intermediate for pigments and drug molecules, is a suitable target for biocatalytic oxidation[1]. References Chemical & Physical Properties Molecular Formula C9H14O Exact Mass 138.104462 PSA 17.07000 Vapour density 4.77 (vs air) Index of Refraction 1.455 InChIKey HJOVHMDZYOCNQW-UHFFFAOYSA-N SMILES CC1=CC(=O)CC(C)(C)C1 Stability Stable. Substances to be avoided include strong bases, strong acids and strong oxidizing agents. |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 5.5%. Ordinary tariff: 30.0% |
| Transport Info | Product name: Summary 2914299000. other cyclanic, cyclenic or cyclootherpenic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0% |
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