Dimethyloctanol
3,7-dimethyl-1-octanol
CAS: 106-21-8
Molecular Formula: C10H22O
Dimethyloctanol - Names and Identifiers
| Name | 3,7-dimethyl-1-octanol |
| Synonyms | Dimethyloctanol dihydrocitronellol tetrahydrogeraniol 3,7-dimethyloctan- Citronellol, dihydro- 3,7-dimethyl-1-octano 3,7-dimethyl-1-octanol 3,7-Dimethyloctan-1-ol 3,7-dimethyloctan-1-ol 2,6-Dimethyl-8-octanol 3,7-dimethyl-octan-1-ol 1-Octanol, 3,7-dimethyl- (±)-3,7-dimethyl-octan-1-ol |
| CAS | 106-21-8 |
| EINECS | 203-374-5 |
| InChI | InChI=1/C10H22O/c1-9(2)5-4-6-10(3)7-8-11/h9-11H,4-8H2,1-3H3 |
Dimethyloctanol - Physico-chemical Properties
| Molecular Formula | C10H22O |
| Molar Mass | 158.28 |
| Density | 0.828 g/mL at 20 °C (lit.) |
| Melting Point | -1.53°C (estimate) |
| Boling Point | 98-99 °C/9 mmHg (lit.) |
| Flash Point | 203°F |
| JECFA Number | 272 |
| Water Solubility | 64mg/L at 20℃ |
| Solubility | Insoluble in water |
| Vapor Presure | <0.01 mm Hg ( 20 °C) |
| Vapor Density | 5.4 (vs air) |
| Appearance | Liquid |
| Color | Clear colorless |
| BRN | 1719638 |
| pKa | 15.13±0.10(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | n20/D 1.436(lit.) |
| Physical and Chemical Properties | Colorless liquid, sweet rose aroma. Boiling Point 213 °c or 118 °c (2.0 x 103Pa). Soluble in ethanol, most non-volatile oils, mineral oil and propylene glycol, insoluble in glycerol and water. |
Dimethyloctanol - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S23 - Do not breathe vapour. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
| UN IDs | UN 3082 9 / PGIII |
| WGK Germany | 1 |
| RTECS | RH0900000 |
| HS Code | 29051990 |
Dimethyloctanol - Reference Information
| FEMA | 2391 | 3,7-DIMETHYL-1-OCTANOL |
| LogP | 3.9 at 35℃ |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Application | 3, 7-dimethyl-1-octanol is mainly used for the preparation of citrus flavor. In the United States, it is mainly used for baked food, alcohol-free beverages, gum, candy, cold drinks, acid food, etc. |
| content analysis | total alcohol amount (as dimethyl octanol) was determined by total alcohol assay (OT-5). The amount of acetylated oil used in saponification was 1.2g. The equivalence factor (e) in the calculation is taken as 79.15. |
| toxicity | GRAS(FEMA). Ld502400 mg/kg (rabbit, subcutaneous). |
| usage limit | FEMA(mg/kg): Soft drink 4.3; Cold drink 2.0~4.4; Candy. 15; Baked goods: 19. Moderate limits (FDA § 172.515,2000). |
| Use | flavor. Mainly used for the preparation of citrus flavor. In the United States, it is mainly used for baked food, alcohol-free beverages, gum, candy, cold drinks, acid food, etc. |
| production method | is generally obtained by hydrogenation of geraniol or citronellol. |
Last Update：2024-04-09 20:49:11
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