Cyclohexanone , ACS,≥99.0% , 108-94-1
Synonym(s):
Cyclohexanone;Pimelic ketone
CAS NO.：108-94-1
Empirical Formula: C6H10O
Molecular Weight: 98.14
MDL number: MFCD00001625
EINECS: 203-631-1
PRODUCT Properties
| Melting point: | -47 °C (lit.) |
| Boiling point: | 155 °C (lit.) |
| Density | 0.947 g/mL at 25 °C (lit.) |
| vapor density | 3.4 (vs air) |
| vapor pressure | 3.4 mm Hg ( 20 °C) |
| refractive index | n |
| FEMA | 3909 | CYCLOHEXANONE |
| Flash point: | 116 °F |
| storage temp. | Store at +5°C to +30°C. |
| solubility | 90g/l |
| pka | 17(at 25℃) |
| form | Liquid |
| color | APHA: ≤10 |
| PH | 7 (70g/l, H2O, 20℃) |
| Odor | Like peppermint and acetone. |
| Relative polarity | 0.281 |
| Odor Type | minty |
| biological source | synthetic |
| explosive limit | 1.1%, 100°F |
| Water Solubility | 150 g/L (10 ºC) |
| Thermal Conductivity | 0.144 W/(m·K) at 25 ℃ |
| Merck | 14,2726 |
| JECFA Number | 1100 |
| BRN | 385735 |
| Henry's Law Constant | 1.2 x 10-5 atmm3/mol at 25 °C (Hawthorne et al., 1985)
6.92 x 10-5 atmm3/mol at 60.00 °C, 10.7 at 70.00 °C, 16.4 at 80.00 °C (headspace-GC, Hovorka et al., 2002) |
| Exposure limits | PC-TWA: 50 mg/m3 |
| Dielectric constant | 18.2（20℃） |
| Stability: | Stable. Combustible. Incompatible with strong oxidizing agents. |
| Major Application | flavors and fragrances |
| Cosmetics Ingredients Functions | PERFUMING SOLVENT |
| InChI | 1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2 |
| InChIKey | JHIVVAPYMSGYDF-UHFFFAOYSA-N |
| SMILES | O=C1CCCCC1 |
| LogP | 0.86 at 25℃ |
| Surface tension | 33.74mN/m at 298.15K |
| CAS DataBase Reference | 108-94-1(CAS DataBase Reference) |
| IARC | 3 (Vol. 47, 71) 1999 |
| NIST Chemistry Reference | Cyclohexanone(108-94-1) |
| EPA Substance Registry System | Cyclohexanone (108-94-1) |
Description and Uses
Cyclohexanone, a colorless liquid is a cyclic ketone. It is an important building block for the synthesis of a variety of organic compounds. Majority of the cyclohexanone synthesized is utilized as an intermediate in the synthesis of nylon.
Used as a polyvinyl chloride (PVC) solvent, cyclohexanone caused contact dermatitis in a woman manufacturing PVC fluidotherapy bags. Cyclohexanone probably does not cross react with cyclohexanone resin. A cyclohexanone-derived resin used in paints and varnishes caused contact dermatitis in painters.
Cyclohexanone is used in the productionof adipic acid for making nylon; in thepreparation of cyclohexanone resins; and asa solvent for nitrocellulose, cellulose acetate,resins, fats, waxes, shellac, rubber, and DDT..
Safety
| Symbol(GHS) |    GHS02,GHS06,GHS08 |
| Signal word | Danger |
| Hazard statements | H311+H331-H302-H315-H319-H361-H371-H370-H372-H341-H351-H335-H336-H305-H226 |
| Precautionary statements | P501-P270-P202-P240-P260-P210-P233-P201-P243-P241-P242-P271-P264-P280-P370+P378-P331-P337+P313-P305+P351+P338-P308+P311-P361+P364-P303+P361+P353-P332+P313-P301+P310-P304+P340+P311-P403+P233-P403+P235-P405 |
| target organs | Respiratory system |
| PPE | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Hazard Codes | Xn |
| Risk Statements | 10-20-41-38-20/21/22 |
| Safety Statements | 25-36/37/39-26 |
| RIDADR | UN 1915 |
| OEB | A |
| OEL | TWA: 25 ppm (100 mg/m3) [skin] |
| WGK Germany | 1 |
| RTECS | GW1050000 |
| Autoignition Temperature | 788 °F |
| TSCA | TSCA listed |
| HS Code | 2914 22 00 |
| HazardClass | 3 |
| PackingGroup | III |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral Eye Dam. 1 Flam. Liq. 3 Skin Irrit. 2 STOT SE 3 |
| Hazardous Substances Data | 108-94-1(Hazardous Substances Data) |
| Toxicity | LD50 orally in rats: 1.62 ml/kg (Smyth) |
| IDLA | 700 ppm |
| REACH Registrations | Active |
| Limited Quantities | 5.0 L (1.3 gallons) (liquid) |
| Excepted Quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) |
