Isophorone
Also known as: 3,5,5-Trimethyl-2-cyclohexen-1-one, 1,1,3-Trimethyl-3-cyclohexen-5-one, Isoforon, Isoacetophorone, FEMA 3553
Isophorone (CAS 78-59-1) is a compound in the Ketones category listed in the Jingsj chemical database. It has the molecular formula C9H14O and a molecular weight of 138.207 g/mol. Key properties include a melting point of −8 °C(lit.), a boiling point of 215.2±0.0 °C at 760 mmHg, a density of 0.9±0.1 g/cm3 and a flash point of 84.4±0.0 °C. It is classified under GHS with signal word Warning and hazard statements H302 — Harmful if swallowed, H312 — Harmful in contact with skin and H319 — Causes serious eye irritation. No supplier offers are currently listed; request a quote. Record last updated Aug 21, 2026.
- CAS No.
- 78-59-1
- Jingsj CID
- J-43253-7
- Molecular Formula
- C9H14O
- Molecular Weight
- 138.207 g/mol
- Category
- Ketones
- Last updated
- 8/21/2026
No offers for this compound yet.
Request a quotePhysicochemical Properties
| Melting Point | −8 °C(lit.) |
|---|---|
| Boiling Point | 215.2±0.0 °C at 760 mmHg |
| Density | 0.9±0.1 g/cm3 |
| Flash Point | 84.4±0.0 °C |
| Exact Mass | 138.104462 |
| PSA | 17.07000 |
| LogP | 2.07 |
| Additional Property | 4.77 (vs air) |
| Vapor Pressure | 0.2±0.4 mmHg at 25°C |
| Refractive Index | 1.455 |
GHS Safety & Compliance
- H302 — Harmful if swallowed
- H312 — Harmful in contact with skin
- H319 — Causes serious eye irritation
- H335 — May cause respiratory irritation
- H351 — Suspected of causing cancer
Activity & Biological Data
| Additional Information | [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. |
|---|
Customs & Trade Information
| HS Code | 2914299000 |
|---|---|
| Summary | 2914299000. other cyclanic, cyclenic or cyclotherpenic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0% |
Frequently Asked Questions
What is the CAS number of Isophorone?
The CAS number of Isophorone is 78-59-1.
What are the molecular formula and molecular weight of Isophorone?
Isophorone has molecular formula C9H14O and molecular weight 138.207 g/mol.
Is Isophorone hazardous?
Isophorone has GHS signal word Warning and hazard statements H302 — Harmful if swallowed; H312 — Harmful in contact with skin; H319 — Causes serious eye irritation.
What are the upstream and downstream products of Isophorone?
For Isophorone, Upstream Products: 3,5,5-Trimethyl-2-cyclohexen-1-ol, Isophorone oxide, Cycloheptanone; Downstream Products: 1,3-Cyclohexadiene,1,3,5,5-tetramethyl-, 3,3,5,5-Tetramethylcyclohexanone, 3,4,5-Trimethylphenol.
Data compiled from public chemical databases such as PubChem and supplier catalogs; supplier offers are provided by suppliers.
Last updated:
How to cite: Jingsj. "Isophorone (CAS 78-59-1)". Jingsj Chemical Database. https://www.jingsj.com/compound/J-43253-7 (accessed 2026-11-06).
Data for reference only; verify product details with suppliers before purchase.