A3131012
Diacetone alcohol , CP,98% , 123-42-2
Synonym(s):
2-Methyl-2-pentanol-4-one, Diacetone alcohol;4-Hydroxy-4-methyl-2-pentanone;Diacetone alcohol
CAS NO.：123-42-2
Empirical Formula: C6H12O2
Molecular Weight: 116.16
MDL number: MFCD00004471
EINECS: 204-626-7
Update time: 2022-07-08
PRODUCT Properties
| Melting point: | -42.8 °C |
| Boiling point: | 166 °C(lit.) |
| Density | 0.938 g/mL at 20 °C |
| vapor density | 4 (vs air) |
| vapor pressure | <1 mm Hg ( 20 °C) |
| refractive index | n |
| Flash point: | 132 °F |
| storage temp. | Store below +30°C. |
| solubility | Soluble in alcohol, ether (Weast, 1986), and many other solvents, particular ketones such as
acetone and 2-butanone. |
| pka | 14.57±0.29(Predicted) |
| form | Liquid |
| color | Clear colorless |
| Odor | Mild, pleasant. |
| explosive limit | 1.8-6.9%(V) |
| Water Solubility | MISCIBLE |
| λmax | 249nm(lit.) |
| Merck | 14,2964 |
| Concentration | 0.1 mCi/ml |
| BRN | 1740440 |
| Solvent | Ethanol |
| Specific Activity | 25-50 mCi/mmol |
| Henry's Law Constant | 3.8×101 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| Exposure limits | ACGIH:TLV-TWA 10 ppm OSHA:PEL-TWA 50 ppm (240 mg/m3) NIOSH:REL-TWA 50 ppm |
| Dielectric constant | 18.2（Ambient） |
| Stability: | Stable. Flammable. Incompatible with strong oxidizing agents, amines, ammonia, strong acids, strong bases, alkalies, aluminium. |
| Cosmetics Ingredients Functions | PERFUMING SOLVENT FRAGRANCE |
| Cosmetic Ingredient Review (CIR) | Diacetone Alcohol (123-42-2) |
| InChI | 1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3 |
| InChIKey | SWXVUIWOUIDPGS-UHFFFAOYSA-N |
| SMILES | CC(=O)CC(C)(C)O |
| LogP | -0.09 at 20℃ |
| Surface tension | 29.44 mN/m at 303.15K |
| CAS DataBase Reference | 123-42-2(CAS DataBase Reference) |
| NIST Chemistry Reference | 4-Hydroxy-4-methylpentan-2-one(123-42-2) |
| EPA Substance Registry System | 4-Hydroxy-4-methyl-2-pentanone (123-42-2) |
Description and Uses
Diacetone alcohol is a colorless liquid with amild, minty odor. Odor threshold = 0.28 ppm. Molecularweight = 116.16; Specific gravity (H2O:1) = 0.94; Boilingpoint = 168℃; Freezing/Melting point = - 43.8℃; Vaporpressure = 1 mmHg at 20℃; Flash point = 64℃; 58℃(acetone free); 64℃ (commercial grade). Explosive limits:LEL = 1.8%; UEL = 6.9%. Hazard Identification (based onNFPA-704 M Rating System): Health 1, Flammability 2,Reactivity 0. Soluble in water.
Solvent for pigments, cellulose, resins, oils, fats, and hydrocarbons; hydraulic brake fluid; antifreeze
Safety
| Symbol(GHS) |    GHS02,GHS07,GHS08 |
| Signal word | Danger |
| Hazard statements | H303-H315-H319-H361-H371-H335-H336-H225 |
| Precautionary statements | P501-P270-P202-P240-P260-P210-P233-P201-P243-P241-P242-P271-P264-P280-P370+P378-P337+P313-P305+P351+P338-P308+P311-P362+P364-P303+P361+P353-P332+P313-P304+P340+P312-P403+P233-P403+P235-P405 |
| target organs | Respiratory system |
| PPE | Eyeshields, Gloves, type ABEK (EN14387) respirator filter |
| Hazard Codes | Xi |
| Risk Statements | 36-R36 |
| Safety Statements | 24/25-S24/25 |
| RIDADR | UN 1148 3/PG II/III (DIACETONE ALCOHOL) |
| OEB | A |
| OEL | TWA: 50 ppm (240 mg/m3) |
| WGK Germany | 1 |
| RTECS | SA9100000 |
| F | 9 |
| Autoignition Temperature | 640 °C |
| TSCA | TSCA listed |
| HS Code | 2914 40 10 |
| HazardClass | 3 |
| PackingGroup | III |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Eye Irrit. 2 Flam. Liq. 3 Repr. 2 STOT SE 3 |
| Hazardous Substances Data | 123-42-2(Hazardous Substances Data) |
| Toxicity | LD50 orally in rats: 4.0 g/kg (Smyth) |
| IDLA | 1,800 ppm [10% LEL] |
| REACH Registrations | Active |
