Octanoic acid
Octanoic acid
CAS: 124-07-2
Molecular Formula: C8H16O2
Octanoic acid - Names and Identifiers
| Name | Octanoic acid |
| Synonyms | Caprylic Octylic acid capylic acid Octanoic acid Caprylic acid n-CAPRYLIC ACID Octanoic Acid (C8) tin(2+) dioctanoate Octanoic Acid (1.00193) caprylic acid free acid 1-Heptanecarboxylic acid N-CAPRYLIC ACID EXTRA PURE CAPRYLIC ACID (OCTANOIC ACID) |
| CAS | 124-07-2 |
| EINECS | 204-677-5 |
| InChI | InChI=1/2C8H16O2.Sn/c2*1-2-3-4-5-6-7-8(9)10;/h2*2-7H2,1H3,(H,9,10);/q;;+2/p-2 |
Octanoic acid - Physico-chemical Properties
| Molecular Formula | C8H16O2 |
| Molar Mass | 144.21 |
| Density | 0.91g/mLat 25°C(lit.) |
| Melting Point | 16 °C |
| Boling Point | 237°C(lit.) |
| Flash Point | >230°F |
| JECFA Number | 99 |
| Water Solubility | 0.68 g/L (20 ºC) |
| Solubility | Slightly soluble in cold water, soluble in hot water and most organic solvents such as ethanol and ether. |
| Vapor Presure | 1 mm Hg ( 78 °C) |
| Vapor Density | 5 (vs air) |
| Appearance | Colorless to light yellow liquid |
| Specific Gravity | 0.910 (20/4℃) |
| Color | Clear colorless to yellow |
| Odor | unpleasant odor |
| Merck | 14,1765 |
| BRN | 1747180 |
| pKa | 4.89(at 25℃) |
| PH | 3.97(1 mM solution);3.45(10 mM solution);2.95(100 mM solution); |
| Storage Condition | 20-25°C |
| Stability | Stable. Incompatible with bases, reducing agents, oxidizing agents. Flammable. |
| Explosive Limit | 1%(V) |
| Refractive Index | n20/D 1.428(lit.) |
| MDL | MFCD00004429 |
| Physical and Chemical Properties | Density 0.91 melting point 16-16.5°C boiling point 237°C refractive index 1.4268-1.4288 flash point 130°C water-soluble 0.68g/L (20°C) |
| Use | For the synthesis of dyes, spices, medicines, the preparation of pesticides, fungicides, plasticizers |
Octanoic acid - Risk and Safety
| Risk Codes | 34 - Causes burns |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/39 - S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S25 - Avoid contact with eyes. S27 - Take off immediately all contaminated clothing. |
| UN IDs | UN 3265 8/PG 3 |
| WGK Germany | 1 |
| RTECS | RH0175000 |
| TSCA | Yes |
| HS Code | 2915 90 70 |
| Hazard Note | Irritant |
| Hazard Class | 8 |
| Packing Group | III |
| Toxicity | LD50 orally in rats: 10,080 mg/kg (Jenner) |
Octanoic acid - Upstream Downstream Industry
| Downstream Products | Caprylic capric triglycerride Octanoyl chloride 2,6-dibromo-4-cyanophenyl octanoate Ethyl caprylate |
Octanoic acid - Reference
| Reference Show more | 1. [IF=3.713] Ren Li et al."Effects of germination time on phenolics, antioxidant capacity, in vitro phenolic bioaccessibility and starch digestibility in sorghum."INTERNATIONAL JOURNAL OF FOOD SCIENCE AND TECHNOLOGY |
Octanoic acid - Nature
Open Data Verified Data
colorless transparent liquid. The relative density is 0. 908, the melting point is 16.5 ℃, the boiling point is 237 ℃, the refractive index is 1. 4285, and the flash point is 106 ℃. Slightly soluble in hot water, soluble in most organic solvents, such as ethanol, ether, chloroform, benzene, carbon disulfide, petroleum ether and glacial acetic acid.
Last Update：2024-01-02 23:10:35
Octanoic acid - Preparation Method
Open Data Verified Data
1. Oxidation of octanal
2. N-hexylmalonic acid method
3. Oxidative dehydrogenation of N-octanol
4.1 octene method by 1 octene and peracetic acid reaction in the system.
Last Update：2022-01-01 10:31:05
Octanoic acid - Standard
Authoritative Data Verified Data
This product is a linear carboxylic acid of eight carbons. The content of c 8h 16o 2 shall not be less than 99.0% calculated as dry product.
Last Update：2024-01-02 23:10:35
Octanoic acid - Trait
Authoritative Data Verified Data
- This product is colorless or yellowish transparent oily liquid.
- This product is easily soluble in ethanol or acetone, dissolved in dilute solution of alkali metal hydroxide, and slightly soluble in water.
relative density
The relative density of this product (General 0601) is 0. 909~912.
Last Update：2022-01-01 11:22:44
Octanoic acid - Use
Open Data Verified Data
for the production of drugs, dyes, spices, etc. Also used as pesticides, fungicides, rust inhibitors, corrosion inhibitors, foaming agent, defoaming agent.
Last Update：2022-01-01 10:31:06
Octanoic acid - Differential diagnosis
Authoritative Data Verified Data
In the chromatogram recorded under the item of related substances, the retention time of the main peak of the test solution should be consistent with the retention time of the main peak of the control solution.
Last Update：2022-01-01 11:22:44
Octanoic acid - Exam
Authoritative Data Verified Data
clarity and color of solution
take this product 5 .0g, add 50ml of water to dissolve, check according to law (General rule 0901 and general rule 0902), the solution should be clear and colorless; If the color is colored, compare with the yellow No. 3 Standard Colorimetric solution (General rule 0901, first method), not deeper.
Related substances
take this product about O .lg, add ethyl acetate to dissolve and dilute 10M l, as a test solution; Take appropriate amount of precision, quantitative dilution with ethyl acetate to make a solution containing about 10mg of caprylic acid per lm l, as a control solution. In addition, about 0.1g of the caprylic acid reference product was taken, dissolved in ethyl acetate and diluted with 10ml to form a reference solution. According to the gas chromatography (General 0521) test, the capillary column with 2-nitroterephthalic acid modified polyethylene glycol 20 m as stationary liquid was used as the column (3 0 m X 0.2 5m ID X O . M j u m ) ; The starting temperature is lOOX:, maintain for 1 minute, and then raise the temperature to 220°C at a rate of 5°C per minute for 20 minutes; the inlet temperature was 2 50 T; The detector temperature was 2 5 C T C; The test solution and the control solution were injected with 1/Ltl respectively, the chromatogram was recorded. The signal-to-noise ratio of the control solution shall not be less than 5; According to the area normalization method, the single impurity in the chromatogram of the test solution shall not pass 0. 3%, total impurities should not be over 0. 5%, any area of the main peak of octanoic acid in the chromatogram of the test solution is less than 0. 5 times the impurity peak is negligible.
moisture
take this product, according to the determination of moisture (General Rule 0 8 3 2 First method 1), the water content shall not exceed 0.7%.
ignition residue
The l.O g of this product shall be taken for inspection according to law (General rule 0841), and the remaining residue shall not exceed.
Heavy metals
take about 1.2g of this product, add ethanol to dissolve and dilute to 0821, as a test solution, check according to law (General Principles first law), containing heavy metals shall not exceed 10 parts per million.
Last Update：2022-01-01 11:22:45
Octanoic acid - Content determination
Authoritative Data Verified Data
take this product about 0.125g, precision weighing, add ethanol 25ml to dissolve, according to the potential titration method (General 0701), with sodium hydroxide titration solution (0. lm o l/L) titration, and the results of the titration were corrected with a blank test. Each lm l sodium hydroxide titration solution (0. lm o l/L) corresponds to 14. 42mg of C8H 1602.
Last Update：2022-01-01 11:22:45
Octanoic acid - Category
Authoritative Data Verified Data
pharmaceutical excipients, stabilizers and bacteriostats.
Last Update：2022-01-01 11:22:46
Octanoic acid - Storage
Authoritative Data Verified Data
sealed and kept in cool and dark place.
Last Update：2022-01-01 11:22:46
Octanoic acid - Reference Information
| FEMA | 2799 | OCTANOIC ACID |
| pH indicator color change ph range | 3.5 |
| LogP | 3.05 at 20℃ |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| introduction | caprylic acid is a medium-chain fatty acid. There are 8 carbons in its chain, so it is also called n-octanoic acid. Octanoic acid is considered an essential fatty acid and is essential for the proper function of the human body. Lack of it can lead to memory or concentration problems. |
| application | 1. prevention and control of wheat spiders: butanone sulfacyl, 25-35 parts; Crotonyl scopolamine, 15-25 parts; Propylene glycol, 135-155 parts; Water, 425-445 parts; The synergist trimethylpropane ester and n-caprylic acid are 7-9 parts in total, and the ratio of trimethylpropane ester to n-caprylic acid is 6-8:1. The composition provided by the invention can prevent and control wheat spiders, can be developed into a pesticide to prevent and control wheat spiders, the prevention and control effect is related to the ratio of the weight of the synergist in the raw material, the weight ratio of the weight of the three-hydroxymethyl propane ester and the weight of the positive acid is 6 to 8:1, the prevention and control effect is the best. 2. Corrosion-resistant antirust liquid: water, 160-180 parts; Polyethylene glycol, 45-55 parts; Polyvinyl alcohol, 35-45 parts; Citric acid, 7-9 parts; Sodium lauryl sulfate, 6-8 parts; Sodium tetraphosphate, 6-8 parts; Sodium thiosulfate, 5-7 parts; Triethanolamine, 4-6 parts; Benzotriazole, 3-5 parts; Ammonium tetrabutylacetate, 4 to 6 parts; sodium molybdate, 2 to 4 parts; boric acid and n-octanoic acid a total of 7 to 9 parts, boric acid and n-octanoic acid weight ratio of 6 to 8:1. The corrosion-resistant anti-rust liquid provided by the invention has excellent anti-rust effect and corrosion resistance, which may be related to the weight ratio of boric acid and positive octanoic acid in the raw material, and the weight ratio of boric acid and positive octanoic acid is 6 to 8:1. |
| use | used in organic synthesis and pharmaceutical industry used in the synthesis of dyes, spices and medicines, preparation of pesticides, fungicides, plasticizers, etc. gas chromatography analysis standard. Preservative. Fungicide. Manufacture of fragrances, dyes, plasticizers, lubricants. |
| production method | obtained from coconut oil by volatile fatty acid fractionation. Obtained by oxidation of n-octanol. Natural products exist in nutmeg, lemongrass, apples, coconut oil, wine, hops, etc. Caprylic acid can be obtained by extracting from coconut oil by volatile fatty acid fractionation method. Ocrylic acid is used as raw material in industrial production. When preparing in the laboratory, n-hexylmalonic acid is used to heat and release carbon dioxide, and the reaction is completely reduced to 4-6.65kPa. Finally, the reaction product is distilled under reduced pressure, and the fraction at 127-129 ℃(2.13kPa) is collected as caprylic acid. Yield 80-85%. Caprylic acid can be prepared by the reaction of 1-octene and peracetic acid. In addition, there is an oxidative dehydrogenation method of n-octanol. |
| spontaneous combustion temperature | >300°C |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 02:00:06
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