DL-2-Octanol CAS 123-96-6
Introduction：Basic information about DL-2-Octanol CAS 123-96-6, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
DL-2-Octanol Basic information
| Product Name: | DL-2-Octanol |
| Synonyms: | HEXYL METHYL CARBINOL;FEMA 2801;ETHYLPENTYLCARBINOL;ETHYL-N-AMYLCARBINOL;DL-2-OCTANOL;METHYL-N-HEXYLCARBINOL;METHYL HEXYL CARBINOL;OCTAN-2-OL |
| CAS: | 123-96-6 |
| MF: | C8H18O |
| MW: | 130.23 |
| EINECS: | 204-667-0 |
| Product Categories: | Amber Glass Bottles;Aspalathus linearis (Rooibos tea);Phytochemicals by Plant (Food/Spice/Herb);Solvent Bottles;Solvent Packaging Options;Zingiber officinale (Ginger);Nutrition Research;Reagent;Solvents;Alcohols;Building Blocks;C7 to C8;Chemical Synthesis;Organic Building Blocks;Oxygen Compounds;bc0001 |
| Mol File: | 123-96-6.mol |
DL-2-Octanol Chemical Properties
| Melting point | -38 °C |
| Boiling point | 174-181 °C(lit.) |
| density | 0.819 g/mL at 25 °C(lit.) |
| vapor pressure | 0.25 hPa (20 °C) |
| refractive index | n |
| FEMA | 2801 | 2-OCTANOL |
| Fp | 160 °F |
| storage temp. | Store below +30°C. |
| solubility | 1.12g/l |
| pka | 15.44±0.20(Predicted) |
| form | Liquid |
| color | Clear colorless to slightly yellow |
| Odor | at 10.00 % in dipropylene glycol. fresh spicy green woody herbal earthy |
| Odor Type | spicy |
| biological source | synthetic |
| explosive limit | 0.80-7.40%(V) |
| Water Solubility | 0.1 g/100 mL (20 ºC) |
| Merck | 14,6752 |
| JECFA Number | 289 |
| BRN | 1719325 |
| Dielectric constant | 5.3（20℃） |
| Stability: | Stable. Incompatible with strong oxidizing agents. Combustible. |
| Major Application | cleaning products cosmetics flavors and fragrances food and beverages personal care |
| Cosmetics Ingredients Functions | PERFUMING |
| InChI | 1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3 |
| InChIKey | SJWFXCIHNDVPSH-UHFFFAOYSA-N |
| SMILES | CCCCCCC(C)O |
| LogP | 2.86 at 22℃ |
| CAS DataBase Reference | 123-96-6(CAS DataBase Reference) |
| NIST Chemistry Reference | 2-Octanol(123-96-6) |
| EPA Substance Registry System | 2-Octanol (123-96-6) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38-36/38-52/53 |
| Safety Statements | 24/25-36-26 |
| RIDADR | UN 1987 |
| WGK Germany | 1 |
| RTECS | RH0795000 |
| Autoignition Temperature | 255 - 260 °C |
| TSCA | TSCA listed |
| HS Code | 29051620 |
| Storage Class | 10 - Combustible liquids |
| Hazard Classifications | Eye Dam. 1 |
| Hazardous Substances Data | 123-96-6(Hazardous Substances Data) |
| Toxicity | LD50 orally in Rabbit: 6100 mg/kg |
| Description | 2-Octanol has a characteristic disagreeable but aromatic odor. Thissubstance may be prepared by distilling sodium ricinoleate withan excess of sodium hydroxide. |
| Chemical Properties | 2-Octanol has a characteristically disagreeable, but aromatic odor. |
| Chemical Properties | colourless liquid with a pungent odour |
| Occurrence | Two optically active isomers of the alcohol have been found; reported in the oil of Réunion geranium; also identifiedin a few species of mint and lavender. Reported found in apple, banana, kumquat peel oil, cranberry, asparagus, peas, thyme,cheeses, chicken and beef fat, hop oil, beer, cognac, rum, grape wines, tea, oats, soybean, coconut meat, Brazil nut, buckwheat,loquat, sweet corn and bilberry wine. |
| Uses | It is used in the paint industry,as a wetting agent in the textile industry, and as a componentof brake fluids. |
| Uses | 2-Octanol is used as a chemical reagent in the synthesis of a variety of pharmaceutical compounds usually through its oxidation to a ketone or aldehyde. Used in the synthesis of piperine derivates as MAO A & B inhibitors. |
| Production Methods | 2-Octanol is produced commercially by heating a soap ofcastor oil with sodium hydroxide. The resultingcommercial product may contain 2–14% methyl hexylketone as a contaminant. |
| Definition | ChEBI: An octanol carrying the hydroxy group at position 2. |
| Preparation | By distilling sodium ricinoleate with an excess of sodium hydroxide. |
| General Description | 2-Octanol is a fatty alcohol mainly found in castor oil, tomato leaves and wine. |
| Safety Profile | Slightly toxic by an unspecifiedroute. When heated to decomposition it emits acrid smokeand irritating vapors. |
DL-2-Octanol Preparation Products And Raw materials
| Raw materials | Sodium hydroxide-->Castor oil-->PROPYLENE-->HEAVY CUT RESIDUE OIL-->2-Amino-3-chlorobenzoic acid-->FATTY ACID MIXTURE-->Ricinoleic acid |
| Preparation Products | Hexanoic acid-->Dioctyl sulfosuccinate sodium salt-->2-Octanone-->2-Octyl cyanoacetate |
