Introduction：Basic information about 2-Ethyl-1,3-hexanediol CAS 94-96-2, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
2-Ethyl-1,3-hexanediol Basic information
| Product Name: | 2-Ethyl-1,3-hexanediol |
| Synonyms: | OCTYLENE GLYCOL(R);RUTGERS 612(R);2-ethyl-1,3-hexyleneglycol;2-Ethyl-2-propyl-1,3-propanediol;ETHOHEXADIOL;ETHOHEXADIOL(R);ETHOHEXADIOL(TM);2-Ethyl hexanediol |
| CAS: | 94-96-2 |
| MF: | C8H18O2 |
| MW: | 146.23 |
| EINECS: | 202-377-9 |
| Product Categories: | Building Blocks;Chemical Synthesis;Organic Building Blocks;Oxygen Compounds;Polyols |
| Mol File: | 94-96-2.mol |
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2-Ethyl-1,3-hexanediol Chemical Properties
| Melting point | -40 °C (lit.) |
| Boiling point | 241-249 °C (lit.) |
| density | 0.933 g/mL at 25 °C (lit.) |
| vapor density | 5 (vs air) |
| vapor pressure | <0.01 hPa (20 °C) |
| refractive index | n20/D 1.451(lit.) |
| Fp | 265 °F |
| storage temp. | Store below +30°C. |
| solubility | 42g/l |
| pka | 14.85±0.10(Predicted) |
| form | Liquid |
| color | Clear |
| Odor | at 100.00?%. odorless |
| Water Solubility | 42 g/L (20 ºC) |
| Sensitive | Hygroscopic |
| Merck | 14,3744 |
| BRN | 1735324 |
| Dielectric constant | 15.24 |
| Cosmetics Ingredients Functions | SOLVENT |
| Cosmetic Ingredient Review (CIR) | 2-Ethyl-1,3-hexanediol (94-96-2) |
| InChI | 1S/C8H18O2/c1-3-5-8(10)7(4-2)6-9/h7-10H,3-6H2,1-2H3 |
| InChIKey | RWLALWYNXFYRGW-UHFFFAOYSA-N |
| SMILES | CCCC(O)C(CC)CO |
| LogP | 3.63 at 20℃ |
| CAS DataBase Reference | 94-96-2(CAS DataBase Reference) |
| NIST Chemistry Reference | 1,3-Hexanediol, 2-ethyl-(94-96-2) |
| EPA Substance Registry System | 2-Ethyl-1,3-hexanediol (94-96-2) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 41 |
| Safety Statements | 25-26-39-46 |
| WGK Germany | 1 |
| RTECS | MO2625000 |
| Autoignition Temperature | 340 °C DIN 51794 |
| TSCA | TSCA listed |
| HS Code | 29053980 |
| Storage Class | 10 - Combustible liquids |
| Hazard Classifications | Eye Dam. 1 |
| Hazardous Substances Data | 94-96-2(Hazardous Substances Data) |
| Toxicity | LD50 in male, female rats (ml/kg): 9.85, 4.92 orally (Ballantyne) |
2-Ethyl-1,3-hexanediol Usage And Synthesis
| Chemical Properties | 2-Ethyl-1,3-hexanediol is an oily, colorless, slightly viscousliquid, that is soluble in alcohol and ether but poorly solublein water (4.2% at 20°C). |
| Chemical Properties | clear liquid |
| Uses | Insect repellent, cosmetics, vehicle and solvent in printing inks, medicine, chelating agent for boric acid. It also fifinds use as solvent for low residual flflux in soft solder paste. |
| Uses | 2-Ethyl-1,3-hexanediol (EHD) can be used as:
- A boron extractant.
- A reactive solvent in the synthesis of magnetic iron-oxide nanoparticles by non-hydrolytic sol-gel method.
- A starting material in the selective synthesis of 2-ethyl-1-hydroxy-3-hexanone by oxidation using H2O2.
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| Uses | 2-Ethyl-1,3-hexanediol is produced commercially by hydrogenatingbutyraldol (2-ethyl-3-hydroxycaproaldehyde). It isused largely as an insect repellent but also as a solvent forresins and inks, a plasticizer, and a chemical intermediate inthe production of polyurethane resins . |
| Indications | Ethyl hexanediol will not irritate human skin but can cause a chemical conjunctivitis.It is a standard repellent for chiggers, mosquitoes, black flies, and other biting fliesand is more useful when combined with dimethyl phthalate and indalone. The mixtureof these three chemicals will repel ticks and flies when it is applied to clothing. |
| Definition | ChEBI: 2-Ethyl-1,3-hexanediol is an aliphatic alcohol. |
| Synthesis Reference(s) | Journal of the American Chemical Society, 75, p. 1084, 1953 DOI: 10.1021/ja01101a022 |
| Flammability and Explosibility | Non flammable |
| Safety Profile | Moderately toxic by ingestion and skin contact. Experimental teratogenic and reproductive effects. A skin and severe eye irritant. Used as an insecticide, insect repellent, and in hair care preparations. Combustible when exposed to heat or flame; can react with oxidzing materials. To fight fire, use alcohol foam, foam, dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes. |
| Toxics Screening Level | The initial threshold screening level (ITSL) for 2-ethyl-1,3-hexanediol (EHD) is 30 μg/m3 based on an annual averaging time. |
2-Ethyl-1,3-hexanediol Preparation Products And Raw materials
| Raw materials | Butyraldehyde |
