Isophorone (IPHO) CAS 78-59-1
Introduction
| Chemical Name: | IPHO, Isophorone, 3,5,5-Trimethyl-2-Cyclohexene-1-One, 1,1,3-Trimethyl-3-cyclohexene-5-one |
| Molecular Formula: | C9H14O |
| Molecular Weight: | 138.21 |
| CAS No.： | 78-59-1 |
| EINECS No.： | 201-126-0 |
Physical and Chemical Properties:
An unsaturated cyclic ketone with high boiling point;
An isomers mixture of α-isophorone (3,5,5-Trimethyl-2-Cyclohexen-1-One) and β-isophorone (3,5,5-Trimethyl-3-Cyclohexen-1-One);
Has an excellent dissolving power for various organics, polymers, resins and chemical products.
Quality Specification:
| Item | Standard |
| Appearance | Clear liquid |
| Purity(isomer mixture) | 99.0% Min |
| Melting point | -8.1℃ |
| Water | 0.10% Max |
| Acidity ( as Acetic Acid) | 0.01% Max |
| APHA (Pt-Co) | 50 Max |
| Density (20℃) | 0.918-0.923 g/cm³ |
Usage:
Isophorone can be used in the fields of–
As a high boiling solvent in paints and varnishes, especially for PVDF resins and as levelling agent for polyacrylate, alkyde, epoxy and phenolic resins;
The raw material for preparation of IPDA (isophorone diamine), IPDI (isophorone diisocyanate) and 3,5-Xylenol;
Also used and show its excellent emulsifying properties and high stability in the herbicide and insecticide formulations.
Names and Identifiers
| Name | Isophorone |
| Synonyms | IPHO Isophoron ai3-00046 FEMA 3553 Isophorone ISOPHORONE IsophoroneForSynthesis 1,1,3-TRIMETHYLCYCLOHEXEN-3-ONE-5 3,5,5-Trimethyl-2-cyclohexen-1-one 1,5,5-Trimethyl-1-cyclohexen-3-one 3,5,5-trimethylcyclohex-2-en-1-one Isophorone,(3,5,5-Trimethyl-2-cyclohexen-1-one) |
| CAS | 78-59-1 |
| EINECS | 201-126-0 |
| InChI | InChI=1/C9H14O/c,3)5-7/h4H,5-6H2,1-3H3 |
78-59-1 –Physico-chemical Properties
| Molecular Formula | C9H14O |
| Molar Mass | 138.21 |
| Density | 0.923 g/mL at 25 °C (lit.) |
| Melting Point | -8 °C (lit.) |
| Boling Point | 213-214 °C (lit.) |
| Flash Point | 184°F |
| JECFA Number | 1112 |
| Water Solubility | Soluble in water (12g/L). |
| Solubility | It can be miscible with most organic solvents and can dissolve 1.2g in 100g of water. |
| Vapor Presure | 0.2 mm Hg ( 20 °C) |
| Vapor Density | 4.77 (vs air) |
| Appearance | Transparent colorless liquid |
| Color | Clear colorless to yellow |
| Odor | Like camphor. |
| Exposure Limit | TLV-TWA 25 mg/m3 (5 ppm); IDLH 800ppm. |
| Merck | 14,5196 |
| BRN | 1280721 |
| Storage Condition | Store below +30°C. |
| Stability | Stable. Substances to be avoided include strong bases, strong acids and strong oxidizing agents. |
| Sensitive | Sensitive to light |
| Explosive Limit | 0.8-3.8%(V) |
| Refractive Index | n20/D 1.476(lit.) |
| MDL | MFCD00001584 |
| Physical and Chemical Properties | Colorless liquid. Density 0.9229. Boiling point 215.2 °c. Freezing point -8.1 °c. Refractive index 1.4759. Insoluble in water. |
| Use | It is an excellent solvent for oils, gums, resins and the like, and is particularly suitable for vinyl resins. |
78-59-1 –Risk and Safety
| Hazard Symbols | Xn – Harmful |
| Risk Codes | R21/22 – Harmful in contact with skin and if swallowed. R36/37 – Irritating to eyes and respiratory system. R40 – Limited evidence of a carcinogenic effect |
| Safety Description | S13 – Keep away from food, drink and animal foodstuffs. S23 – Do not breathe vapour. S36/37/39 – Wear suitable protective clothing, gloves and eye/face protection. S46 – If swallowed, seek medical advice immediately and show this container or label. |
| UN IDs | UN 3082 9 / PGIII |
| WGK Germany | 1 |
| RTECS | GW7700000 |
| TSCA | Yes |
| HS Code | 2914 29 00 |
| Toxicity | LD50 in male, female rats and male mice (mg/kg): 2700 ±200, 2100 ±200, 2200 ±200 orally (PB90-180225) |
78-59-1 –Upstream Downstream Industry
| Raw Materials | Acetone |
78-59-1 –Reference
| ReferenceShow more | 1. [IF=3.935]Muhammad Yasir Ali et al.”Plant Volatiles and Herbivore Induced Plant Volatiles from Chili Pepper Act as A… |
78-59-1 –Introduction
It has a camphor-like smell. The dew becomes a dimer, which is oxidized in the air to produce 4,4, 6-trimethyl-1, cyclohexanedione. Soluble in alcohol, ether and acetone, miscible with most organic solvents, solubility in water: 12g/L (20°C). There is the possibility of cancer. There’s tear-jerking irritation.
78-59-1 –Reference Information
| FEMA | 3553 | ISOPHORONE |
| Henry’s Law Constant | (x 10-6 atm?m3/mol):5.8 (calculated, U.S. EPA, 1980a) |
| LogP | 1.67-1.7 at 20℃ |
| purpose | the product is a high boiling point solvent. It is mainly used for pesticide, coating and can coating. It is an excellent solvent for oils and fats, gums, resins and the like, and is particularly suitable for use in vinyl resins. organic solvent. |
| production method | is obtained by polymerizing 3-molecule acetone. |
| category | flammable liquid |
| toxicity grade | poisoning |
| Acute toxicity | oral-rat LD50: 1870 mg/kg; Oral-mouse LD50: 2690 mg/kg |
| stimulation data | Skin-rabbits were mild at 100 mg/24 h; eye-rabbit 100 mg/24 h moderate |
| explosive hazard characteristics | mixture with air to form explosive mixture |
| flammability hazard characteristics | flammable; Spicy and irritating smoke released from fire scene |
| storage and transportation characteristics | The warehouse is ventilated and dried at low temperature; It is stored separately from the oxidant |
| extinguishing agent | dry powder, carbon dioxide; 1211; Foam |
| Occupational Standard | TLV-TWA 28 mg/m3; Tel 56 mg/m3 |
| spontaneous combustion temperature | 864 ° F. |
| immediate life-and health-threatening concentration | 200 ppm |
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