(2R)-Octan-2-ol
2-Octanol
CAS: 123-96-6;4128-31-8
Molecular Formula: C8H18O
(2R)-Octan-2-ol - Names and Identifiers
(2R)-Octan-2-ol - Physico-chemical Properties
| Molecular Formula | C8H18O |
| Molar Mass | 130.23 |
| Density | 0.819g/mLat 25°C(lit.) |
| Melting Point | -38 °C |
| Boling Point | 174-181°C(lit.) |
| Specific Rotation(α) | n20/D 1.426 |
| Flash Point | 160°F |
| JECFA Number | 289 |
| Water Solubility | 0.1 g/100 mL (20 ºC) |
| Solubility | Can be miscible with alcohol, ether, chloroform, insoluble in water. |
| Vapor Presure | 0.25 hPa (20 °C) |
| Appearance | Colorless flammable oily liquid with aromatic odor. |
| Color | Clear colorless to slightly yellow |
| Merck | 14,6752 |
| BRN | 1719325 |
| pKa | 15.44±0.20(Predicted) |
| Storage Condition | Store below +30°C. |
| Stability | Stable. Incompatible with strong oxidizing agents. Combustible. |
| Sensitive | Sensitive to humidity |
| Explosive Limit | 0.80-7.40%(V) |
| Refractive Index | n20/D 1.426(lit.) |
| MDL | MFCD00004591 |
| Physical and Chemical Properties | colorless flammable oily liquid with aromatic odor. |
| Use | Used as polyethylene plastic plasticizer, synthetic fiber oil agent, pesticide emulsifier raw materials |
(2R)-Octan-2-ol - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R36/38 - Irritating to eyes and skin. R52/53 - Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. |
| Safety Description | S24/25 - Avoid contact with skin and eyes. S36 - Wear suitable protective clothing. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. |
| UN IDs | UN 1987 |
| WGK Germany | 1 |
| RTECS | RH0795000 |
| TSCA | Yes |
| HS Code | 29051620 |
| Toxicity | LD50 orally in Rabbit: 6100 mg/kg |
(2R)-Octan-2-ol - Upstream Downstream Industry
| Raw Materials | Castor oil Propylene Sodium hydroxide |
| Downstream Products | Hexanoic acid 2-Octyl cyanoacetate (2-OCYA) 2-octanone |
(2R)-Octan-2-ol - Reference
| Reference Show more | 1. du Han, Liang yanying, wangxin, et al. Study on the quality difference between brewing and table grape brewing sparkling wine [J]. China brewing, 2018, 37(12):28-33. 2. sun na, yang xinyue, yang yuchi, et al. analysis of volatile components of Changbai mountain wild mountain grape wine [J]. food and fermentation industry, 2019, v.45;No.395(23):266-273. 3. Wang Dan, Zhao Kangyun, Xue Hugui, He Qianyu, Ma Chao, Xu Bin, Li Yan. Analysis of Volatile Aroma Components and Antioxidant Changes in Apple Vinegar at Different Fermentation Stages [J]. Chinese Brewing, 2020,39(09):136-141. 4. Sun Jiaqing, Feng Tao, Zhang Can, Zhang Kangyi. Combined with GC-MS and GC-IMS analysis of volatile flavor substances in corn under different treatment methods [J]. Cereals, Oil and Food Technology, 2021,29(01):1-9. 5. Feng Tao, Sun Jiaqing, Zhang Can, Zhang Kangyi. The volatile flavor substances of green beans under different treatment methods were analyzed by combining GC-MS and GC-IMS [J]. Cereals, Oil and Food Technology, 2021,29(01):10-19. 6. Zhang Kangyi, Sun Jiaqing, Zhang Can, Feng Tao. The volatile flavor substances of green wheat kernels under different treatment methods were analyzed by combining GC-MS and GC-IMS [J]. Cereals, Oils and Food Technology, 2021,29(01):20-30. 7. [IF = 2.72] Kangyi Zhang et al."Analysis of volatile flavor compounds of green wheat under different treatments by GC-MS and GC-IMS." Journal Of Food Biochemistry. 2021 Jul 27 8. [IF = 2.45] Zhang Kangyi et al.Characterization of Volatile Component Changes in Peas under Different Treatments by GC-IMS and GC-MS.J Food Quality. 2021;2021:6533083 9. [IF = 3.463] Yan-lun Ju et al."Targeted metabolomic and transcript level analysis reveals the effects of exogenous strigolactone and methyl jasmonate on grape quality." Sci Hortic-Amsterdam. 2022 Jun;299:111009 10. [IF = 2.72] Yang Luo et al."Elucidation of aroma compounds in passion fruit (Passiflora alata Ait) using a molecular sensory approach." JOURNAL OF FOOD BIOCHEMISTRY |
(2R)-Octan-2-ol - Nature
Open Data Verified Data
colorless flammable oily liquid with aromatic odor. Low toxicity. Melting Point -38 °c. Boiling point 178~179 deg C. Flash point (Open Cup) 88 °c. Refractive index 4256. The relative density was 0.835. Viscosity (20 deg C) 8.2mPa.s. Insoluble in water, soluble in alcohol, ether and chloroform.
Last Update：2024-01-02 23:10:35
(2R)-Octan-2-ol - Preparation Method
Open Data Verified Data
by hydrolysis of castor oil into a mixture of fatty acids and glycerol, glycerol recovery after the role of ricinoleic acid and alkali to its sodium salt, it and strong alkali in high temperature cracking, the sodium ricinolate molecule undergoes self-oxidation, and the chain is broken to obtain 2-octanol and sebacic acid disodium salt, and the separated secondary octanol aqueous solution is evaporated to obtain the finished product.
Last Update：2022-01-01 10:34:31
(2R)-Octan-2-ol - Introduction
Slightly unpleasant aromatic smell. Can be miscible with alcohol, ether, chloroform, insoluble in water. Half lethal dose (mice, oral) 4000mg/kg. Flammable. It's irritating.
Last Update：2022-10-16 17:12:54
(2R)-Octan-2-ol - Use
Open Data Verified Data
esterification with phthalic anhydride to produce di-SEC-octyl phthalate, which is an excellent plasticizer for polyvinyl chloride plastics. 2 A octanol is also used as a synthetic fiber oil agent, defoaming agent and preparation of surfactant, coal mine flotation agent and pesticide emulsifier raw materials, can also be used as a solvent for oil and wax.
Last Update：2022-01-01 10:34:30
(2R)-Octan-2-ol - Safety
Open Data Verified Data
- low toxicity, slightly bactericidal. Mouse oral ld501795 mg/kg. Slightly unpleasant odor. Production equipment should be sealed to prevent leakage. The operator should wear protective gear.
- packed in 240L iron drum. Store in a cool, ventilated, dry place. Pay attention to fire prevention and sun protection. According to the general provisions of flammable liquid chemicals storage and transportation.
Last Update：2022-01-01 10:34:31
(2R)-Octan-2-ol - Reference Information
| FEMA | 2801 | 2-OCTANOL |
| LogP | 2.86 at 22℃ |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| Introduction | Secondary octanol is a colorless liquid with an aromatic smell, which can be prepared by distilling sodium ricinoleate with excess sodium hydroxide. |
| Source | Two optically active isomers of sec-octanol have been found, and this substance is found in a few types of mint and lavender. It is also reported that this substance is also contained in apples, bananas, kumquat peel oil, cranberries, asparagus, peas, thyme, cheese, chicken and beef fat, hops oil, beer, brandy, rum, wine, tea, oats, soybeans, coconut meat, Brazil nuts, buckwheat, loquat, sweet corn and bilberry wine. |
| content analysis | determined by non-polar column method in gas chromatography (GT-10-4). |
| toxicity | LD501795mg/kg (mouse, oral). It can be safely used in food as a spice (FDA,§ 172.515,2000). GRAS(FEMA). |
| usage limit | FEMA(mg/kg): cold drink 0.60; Candy 3.0; Baked food 4.0; Gelatin sweet and pudding 2.0. |
| use | used in the manufacture of plasticizers, synthetic fiber oils, defoamers, mining flotation agents, pesticide emulsifiers and fragrances, and can also be used as oils and waxes Solvent Used for perfume preparation, also used as anti-foaming agent GB 2760-1996 regulations are allowed to use edible spices. Used as raw material for polyethylene plastic plasticizer, synthetic fiber oil agent, pesticide emulsifier solvent, defoamer, perfume intermediate, plasticizer preparation, organic synthesis, petroleum additive, wetting agent. |
| production method | hydrolysis of castor oil into mixed fatty acid and glycerin, separation of ricinoleic acid and alkali to form sodium salt, and then cracking and oxidizing at a strong alkali sodium hydroxide and a high temperature of 250 ℃ to separate a secondary octanol aqueous solution and evaporate to obtain the finished product. |
| category | flammable liquid |
| toxicity classification | poisoning |
| acute toxicity | oral-rat LD50: 3200 mg/kg |
| flammability hazard characteristics | flammable; combustion produces stimulating smoke |
| storage and transportation characteristics | warehouse ventilation and low temperature drying |
| fire extinguishing agent | dry powder, foam, sand, water |
| spontaneous combustion temperature | 255-260°C |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 20:52:54
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Raw Materials for (2R)-Octan-2-ol
Downstream Products for (2R)-Octan-2-ol