Name | S-(+)-2-Octanol |
Synonyms | D-2-OCTANOL (s)-2-octano d-Octan-2-ol (S)-2-OCTANOL D(+)-2-OCTANOL (S)-octan-2-ol D(+)-2-Octanol S-(+)-2-Octanol 2-Octanol, (S)- 2-Octanol, (2S)- (S)-(+)-2-OCTANOL (S)-2-HYDROXYOCTANE (S)-(+)-2-HYDROXYOCTANE |
CAS | 6169-06-8 113301-48-7 |
EINECS | 228-213-6 |
InChI | InChI=1/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3 |
InChIKey | SJWFXCIHNDVPSH-QMMMGPOBSA-N |
Molecular Formula | C8H18O |
Molar Mass | 130.23 |
Density | 0.822 g/mL at 25 °C (lit.) |
Melting Point | -61.15°C (estimate) |
Boling Point | 175 °C (lit.) |
Specific Rotation(α) | 9.5 º (neat) |
Flash Point | 160°F |
Water Solubility | 1 g/L (20 ºC) |
Solubility | 1.28g/l |
Appearance | clear liquid |
Color | Colorless to Almost colorless |
Merck | 14,6752 |
BRN | 1719323 |
pKa | 15.44±0.20(Predicted) |
Storage Condition | Sealed in dry,Room Temperature |
Stability | Stable. Combustible. Incompatible with strong oxidizing agents |
Explosive Limit | 0.8%(V) |
Refractive Index | n20/D 1.426(lit.) |
MDL | MFCD00064283 |
Physical and Chemical Properties | Boiling Point 175 °c. |
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. S37/39 - Wear suitable gloves and eye/face protection |
WGK Germany | 3 |
TSCA | Yes |
HS Code | 29051620 |
Reference Show more | 1. Wang Dan, Zhao Kangyun, Xue hugui, He Qianyu, Ma Chao, Xu Bin, Li Yan. Analysis of volatile aroma components and antioxidant activity in different fermentation stages of Brewer's grain apple vinegar [J]. China Brewing, 2020,39(09):136-141. 2. Sun Jiaqing, Feng Tao, Zhang can, Zhang Kangyi. Analysis of volatile flavor compounds of corn under different treatment methods combined with GC-MS and GC-IMS [J]. Grain and Oil food science and technology, 2021,29(01):1-9. 3. Feng Tao, Sun Jiaqing, Zhang can, Zhang Kangyi. Analysis of volatile flavor compounds of green beans under different treatments by combining GC-MS and GC-IMS [J]. Grain and Oil food technology, 2021,29(01):10-19. 4. Zhang Kangyi, Sun Jiaqing, Zhang can, Feng Tao. Analysis of volatile flavor compounds of green wheat kernel under different treatments by combining GC-MS and GC-IMS [J]. Grain and Oil food science and technology, 2021,29(01):20-30. 5. 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 6. [IF = 3.638] Meina Zhang et al."Effects of fermentationwith lactobacilli fermentum 21828." Journal Of The Science Of Food And Agriculture. 2021 Dec 14 |
NIST chemical information | information provided by: webbook.nist.gov (external link) |
EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
Introduction | 2-Octanol is a flammable liquid, non-corrosive to metals, low vapor pressure, under normal conditions the use of little risk, with secondary alcohol chemical reactivity. In the presence of a catalyst and acid to produce esters, oxidation to produce aldehydes or acids, dehydration in the role of alumina to olefins. 2-Octanol exists as an optical isomer, and its acid phthalate can be used for isolation under the action of strychnine. |
application field | esterification of 2-Octanol and phthalic anhydride to produce DISEC-octyl phthalate, which is an excellent plasticizer for polyethylene plastics; esterification with terephthalic acid into terephthalic acid: Di-SEC-octyl ester, which is a plasticizer for cable material and has good insulation performance; 2-Octanol is also used as synthetic fiber oil agent, defoaming agent and preparation of surfactant, coal flotation agent and pesticide emulsifier raw materials; Can also be used as oil and wax solvent. |
Use | 1. It is used in the manufacture of plasticizers, synthetic fiber oil agents, defoamers, mine flotation agents, pesticide emulsifiers and perfumes, and can also be used as solvents for oils and waxes. It can be used as a solvent for Nitro paint and enamel to improve ductility, gloss and fluidity. It is also used as a fiber wetting agent, brake oil, anti-emulsifier and a raw material for making plasticizers and perfumes. In addition, 2-Octanol is still used to adjust the viscosity of urea-formaldehyde resin. 2. Esterification with phthalic anhydride produces di-SEC-octyl phthalate, which is an excellent plasticizer for polyvinyl chloride plastics. 2-octanol is also used as synthetic fiber oil agent, defoaming agent and preparation of surface active agent, coal mine flotation agent and pesticide emulsifier raw material, can also be used as oil and wax solvent. |
toxicity | low toxicity, slightly bactericidal. Mouse oral ld501795 mg/kg. Slightly unpleasant odor. |
synthetic method | ricinoleic acid is obtained by hydrolysis of castor oil, and its sodium salt is obtained by reaction with alkali, the chain scission reaction is carried out under strong base and high temperature, and the product is obtained by separation and evaporation. Purification method after washing with 15% sodium bisulfite and distillation. Or treated with phenylhydrazine, washed and distilled. |