RARECHEM AL BO 0187
Nonanoic acid
CAS: 112-05-0
Molecular Formula: C9H18O2
RARECHEM AL BO 0187 - Names and Identifiers
| Name | Nonanoic acid |
| Synonyms | SCYTHE NONANE C9 ACID FEMA 2784 GRANTRICO AKOS 222-43 Nonanoic acid n-Nonanoic acid Pelargonic Acid CARBOXYLIC ACID C9 RARECHEM AL BO 0187 Nonanoic acid (Pelargonic) Acid C9, Pelargonic acid Nonanoic acid,Acid C9, Pelargonic acid Pelargonic acid (n-Nonanoic acid, C9 ) |
| CAS | 112-05-0 |
| EINECS | 203-931-2 |
| InChI | InChI=1/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11) |
RARECHEM AL BO 0187 - Physico-chemical Properties
| Molecular Formula | C9H18O2 |
| Molar Mass | 158.24 |
| Density | 0.906 g/mL at 25 °C (lit.) |
| Melting Point | 9 °C (lit.) |
| Boling Point | 268-269 °C (lit.) |
| Flash Point | 212°F |
| JECFA Number | 102 |
| Water Solubility | NEGLIGIBLE |
| Solubility | 0.3g/l |
| Vapor Presure | <0.1 mm Hg ( 20 °C) |
| Vapor Density | 5.5 (vs air) |
| Appearance | Colorless or bright yellow oily liquid |
| Color | Clear colorless |
| Merck | 14,7070 |
| BRN | 1752351 |
| pKa | 4.96(at 25℃) |
| PH | 4(1 mM solution);3.49(10 mM solution);2.98(100 mM solution); |
| Storage Condition | 2-8°C |
| Sensitive | Easily absorbing moisture |
| Explosive Limit | 0.8-9%(V) |
| Refractive Index | n20/D 1.432(lit.) |
| MDL | MFCD00004433 |
| Physical and Chemical Properties | Vapor Density: 5.5 (vs air) vapor pressure:<0.1mm Hg ( 20 ℃) storage conditions: 2-8 ℃ WGK Germany:1 RTECS:RA6650000 |
| Use | Organic synthesis. Organic synthetic raw materials. |
RARECHEM AL BO 0187 - Risk and Safety
| Hazard Symbols | C - Corrosive |
| Risk Codes | 34 - Causes burns |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S28 - After contact with skin, wash immediately with plenty of soap-suds. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S28A - |
| UN IDs | UN 3265 8/PG 3 |
| WGK Germany | 1 |
| RTECS | RA6650000 |
| TSCA | Yes |
| HS Code | 29159080 |
| Hazard Class | 8 |
| Packing Group | III |
| Toxicity | LD50 i.v. in mice: 224±4.6 mg/kg (Or, Wretlind) |
RARECHEM AL BO 0187 - Nature
Open Data Verified Data
colorless oily liquid. Industrial products are light yellow. Slightly special odor. Melting Point 11-12.5 °c. Boiling point 255.6 °c. The relative density of 0.904 ~ o.910. Refractive index 4322. Insoluble in water, soluble in ethanol, ether and chloroform.
Last Update：2024-01-02 23:10:35
RARECHEM AL BO 0187 - Preparation Method
Open Data Verified Data
1. Oleic acid was obtained by nitric acid or ozone oxidation.
With 1 octene and synthesis gas as raw material, by carbonylation of nonanal, and then by air oxidation to produce nonanoic acid.
Last Update：2022-01-01 10:31:07
RARECHEM AL BO 0187 - Introduction
Slightly has a special smell, cooling can precipitate crystals, soluble in organic solvents such as alcohol, ether and chloroform, and almost insoluble in water.
Last Update：2022-10-16 17:12:10
RARECHEM AL BO 0187 - Use
Open Data Verified Data
raw materials for organic synthesis can be made into azelaic acid by oxidation, ammoniation into nonylamine, pressure hydrogenation into nonanol, and can also be used to produce nonanoic acid ester plasticizers.
Last Update：2022-01-01 10:31:07
RARECHEM AL BO 0187 - Safety
Open Data Verified Data
- corrosive. Mouse oral LD5015mg/kg. Intravenous injection of LD50 224mg/kg. The operator should wear protective gear.
- plastic drum for industrial use, 25kg per barrel. The analytical reagents were filled in glass bottles of 500g each. According to the general chemical storage and transportation.
Last Update：2022-01-01 10:31:07
RARECHEM AL BO 0187 - Reference Information
| FEMA | 2784 | NONANOIC ACID |
| LogP | 3.4 at 25℃ |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| content analysis | accurately weigh about 1.0g of the sample, weigh it into a 250ml triangular flask containing 75-100ml of water, add phenolphthalein test solution, titrate with 0.5mol/L sodium hydroxide solution until pink just appears and maintain for 15s. 0.5mol/L sodium hydroxide solution per ml is equivalent to 79.12mg of nonanoic acid. |
| toxicity | corrosive. Mouse oral LD5015mg/kg. LD50 224mg/kg was injected intravenously. Operators should wear protective equipment. |
| usage limit | FEMA(mg/kg): soft drink 1.8; Cold drink 7.8; Candy 6.6; Baked food 13; Shortening 10. Moderate limit (FDA § 172.515,2000). |
| use | used as paint desiccant, plasticizer and synthetic lubricant GB 2760-96 stipulates that it is allowed to use edible spices. Mainly used to prepare coconut and berry flavors. Organic synthesis raw materials, oxidation can produce azelaic acid, ammonia hydrogenation can produce nonamine, pressure hydrogenation can produce nonanol. Nonanoic acid is also used in the production of nonanoic acid esters plasticizers and also as a paint desiccant. Nonanoic acid has light fat and coconut aroma. China's GB2760-86 regulations are allowed to use edible spices, mainly used to prepare coconut and berry flavors. An intermediate for the production of detergent bleaching activators, used to produce polyol esters as lubricants for fibers and jet turbines. Organic synthesis. Organic synthetic raw materials, oxidation can be made into azelaic acid, ammoniation can be made into nonylamine, pressure hydrogenation can be made into nonyl alcohol, but also can be used to produce nonyl acid ester plasticizers and so on. |
| production method | the natural product (free or esterified state) exists in essential oils such as rose, geranium, iris, hops, lavender, etc. Industrially obtained by oxidation of 1-octene or oleic acid. 1. Oleic acid is oxidized by nitric acid or ozone. 2. Using 1-octene and synthesis gas as raw materials, nononaldehyde is prepared by carbonylation, and then nononic acid is obtained by air oxidation. During laboratory preparation, the resteamed diethyl malonate can be added to sodium butanol, heated to 80-90 ℃, and bromoheptane can be added to slowly reflux the reactants until litmus is neutral. Then add the potassium hydroxide solution, heat and reflux for 4-5h, after the saponification is completed, carry out steam distillation, and steam until there is no butanol distillation. Concentrated hydrochloric acid is added into the residual liquid, refluxed for 1h, then cooled and separated into oil layers and heated. When carbon dioxide release is stopped at 180 ℃, the oil in the reactant is crude nonanoic acid. Distillation under reduced pressure, 140-142 ℃(1.6kPa) fraction was collected to obtain finished nonanoic acid with a yield of about 70%. It is obtained by oxidation of nonanol or nonaldehyde or methyl nonone. Oleic acid is obtained by ozone oxidation. |
| spontaneous combustion temperature | 405°C |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 15:16:47
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