(3R)-octan-3-ol
3-Octanol
CAS: 589-98-0;20296-29-1
Molecular Formula: C8H18O
(3R)-octan-3-ol - Names and Identifiers
| Name | 3-Octanol |
| Synonyms | 3-Octanol 3-0ctanol Octan-3-ol D-n-Octanol DL-3-OCTANOL DL-3-Octanol n-Octan-3-ol (±)-octan-3-ol 1-ethylhexanol (3S)-octan-3-ol (3R)-octan-3-ol Amylethylcarbinol ethylpentylcarbinol ETHYL-N-AMYLCARBINOL n-Amyl ethyl carbinol Ethyl n-pentyl carbinol |
| CAS | 589-98-0 20296-29-1 |
| EINECS | 209-667-4 |
| InChI | InChI=1/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3/t8-/m0/s1 |
(3R)-octan-3-ol - Physico-chemical Properties
| Molecular Formula | C8H18O |
| Molar Mass | 130.23 |
| Density | 0.818 g/mL at 25 °C (lit.) |
| Melting Point | -45 °C |
| Boling Point | 174-176 °C (lit.) |
| Flash Point | 150°F |
| JECFA Number | 291 |
| Water Solubility | 1.5g/L at 25℃ |
| Solubility | Insoluble in water, soluble in alcohol and most animal and vegetable oils |
| Vapor Presure | ~1 mm Hg ( 20 °C) |
| Vapor Density | ~4.5 (vs air) |
| Appearance | Colorless, transparent liquid |
| Color | Clear colorless |
| Odor | strong, nutty odor |
| BRN | 1719310 |
| pKa | 15.44±0.20(Predicted) |
| Storage Condition | Store below +30°C. |
| Sensitive | Easy to absorb moisture and sensitive to air |
| Refractive Index | n20/D 1.426(lit.) |
| MDL | MFCD00004590 |
| Physical and Chemical Properties | Colorless oily liquid. Rose and Orange-like aroma, and has a spicy fatty gas. Boiling point 195 ℃, melting point -15.4 ~-16.3 ℃, Flash Point 81 ℃. Soluble in ethanol, propylene glycol, most non-volatile oils and mineral oil, insoluble in water (0.05%), insoluble in glycerol. Natural products are found in more than 10 kinds of essential oils such as bitter orange, grapefruit, sweet orange, green tea and violet leaf. |
(3R)-octan-3-ol - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
| UN IDs | NA 1993 / PGIII |
| WGK Germany | 2 |
| RTECS | RH0855000 |
| TSCA | Yes |
| HS Code | 2905 16 85 |
| Toxicity | LD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rabbit > 5000 mg/kg |
(3R)-octan-3-ol - Reference
| Reference Show more | 1. Liu Qiang, Liu Jiwei, Tian Jia, Yan Wei, Liu Bing, Zhao Siqi, Hu Qiuhui, Ding Chao. Dynamic Analysis of odor fingerprint changes of brown rice during short-term storage under high temperature stress [J]. China Agricultural Science, 2021,54(02):379-391. 2. Tian Lan et al. [IF = 4.35]. "Analysis of the Aroma Chemical Composition of Commonly planned Kiwifruit Cultivars in China." Foods. 2021 Jul;10(7):1645 3. [IF = 2.727] you Song et al."Comparison of volatile compounds and fatty acids of jujuju mill. before and after blackening process." INTERNATIONAL JOURNAL OF FOOD PROPERTIES. 2022;25(1):1079-1098 |
(3R)-octan-3-ol - Reference Information
| FEMA | 3581 | 3-OCTANOL |
| LogP | 2.73 at 25℃ |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| production method | It is obtained by reducing octanoate (such as methyl octanoate) and metallic sodium in ethanol solution. |
Last Update：2024-04-10 22:29:15
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