Octanoic acid
Octanoic acid structure
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Common Name | Octanoic acid | ||
|---|---|---|---|---|
| CAS Number | 124-07-2 | Molecular Weight | 144.21100 | |
| Density | 0.91 g/mL at 25 °C(lit.) | Boiling Point | 237 ºC | |
| Molecular Formula | C8H16O2 | Melting Point | 16 °C | |
| MSDS | Chinese USA | Flash Point | 130 ºC | |
| Symbol |
GHS05 |
Signal Word | Danger | |
Use of Octanoic acidOctanoic acid is an oily liquid with a slightly unpleasant rancid taste and used commercially in the production of esters used in perfumery and also in the manufacture of dyes. |
Summary: Octanoic acid, also known as octanoate, Chinese name: 正辛酸, CAS number: 124-07-2, molecular formula: C8H16O2, molecular weight: 144.21100. It appears as a pale yellow liquid. Melting point: 16 °C, boiling point: 237 ºC, density: 0.91 g/mL. This compound is primarily used in organic synthesis and pharmaceutical industry, also for dye, fragrance, and pharmaceutical synthesis, preparation of insecticides, fungicides, plasticizers, etc. It can also be used as a standard for gas chromatography analysis, preservative, antifungal agent, etc. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | octanoic acid |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | Octanoic acid is an oily liquid with a slightly unpleasant rancid taste and used commercially in the production of esters used in perfumery and also in the manufacture of dyes. |
|---|---|
| Related Catalog | |
| Target |
Human Endogenous Metabolite |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 0.91 g/mL at 25 °C(lit.) |
|---|---|
| Boiling Point | 237 ºC |
| Melting Point | 16 °C |
| Molecular Formula | C8H16O2 |
| Molecular Weight | 144.21100 |
| Flash Point | 130 ºC |
| Exact Mass | 144.11500 |
| PSA | 37.30000 |
| LogP | 2.43150 |
| Vapour density | 5 (vs air) |
| Vapour Pressure | 0.022mmHg at 25°C |
| Index of Refraction | n20/D 1.428(lit.) |
| InChIKey | WWZKQHOCKIZLMA-UHFFFAOYSA-N |
| SMILES | CCCCCCCC(=O)O |
| Stability | Stable. Incompatible with bases, reducing agents, oxidizing agents. Flammable. |
| Water Solubility | 0.68 g/L (20 ºC) |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
MUTATION DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS05 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H314 |
| Precautionary Statements | P280-P303 + P361 + P353-P304 + P340 + P310-P305 + P351 + P338 |
| Personal Protective Equipment | Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | C:Corrosive |
| Risk Phrases | R34 |
| Safety Phrases | S26-S36/39-S45-S36/37/39-S25 |
| RIDADR | UN 3265 8/PG 3 |
| WGK Germany | 1 |
| RTECS | RH0175000 |
| Packaging Group | III |
| Hazard Class | 8 |
| HS Code | 2915900090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 10 | |
|---|---|
| DownStream 10 | |
CAS#:111-87-5
CAS#:1871-67-6
CAS#:5663-96-7
CAS#:124-13-0
CAS#:201230-82-2
CAS#:124-11-8
CAS#:818-44-0
CAS#:111-86-4
CAS#:2638-36-0
CAS#:111-66-0
CAS#:111013-41-3
CAS#:106-10-5
CAS#:376-27-2
CAS#:593-39-5
CAS#:423-54-1
CAS#:59558-23-5
CAS#:36946-07-3
CAS#:30711-41-2
CAS#:538-23-8
CAS#:19670-49-6This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2915900090 |
|---|---|
| Summary | 2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Sensing of triacylglycerol in the gut: different mechanisms for fatty acids and 2-monoacylglycerol.
J. Physiol. 593(8) , 2097-109, (2015) Sensing of dietary triacylglycerol in the proximal small intestine results in physiological, hormonal and behavioural responses. However, the exact physiological pathways linking intestinal fat sensin... |
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Combined effects of nutrients and temperature on the production of fermentative aromas by Saccharomyces cerevisiae during wine fermentation.
Appl. Microbiol. Biotechnol. 99(5) , 2291-304, (2015) Volatile compounds produced by yeast during fermentation greatly influence the organoleptic qualities of wine. We developed a model to predict the combined effects of initial nitrogen and phytosterol ... |
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Olfactometry Profiles and Quantitation of Volatile Sulfur Compounds of Swiss Tilsit Cheeses.
J. Agric. Food Chem. 63 , 7511-21, (2015) To establish the odor profiles of three differently fabricated commercial Swiss Tilsit cheeses, analyses were conducted using headspace solid-phase microextraction gas chromatography-mass spectrometry... |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Octylic acid |
| n-Octoic acid |
| OCTANOIC ACID/CAPRYLIC ACID |
| n-Octanoic Acid |
| MFCD00004429 |
| Octocapric Acid |
| Acid C8,Caprylic acid |
| CAPRYLIC ACID (C8) |
| OCTANOIC ACID (CAPRYLIC) |
| heptane-7-carboxylic acid |
| Octanoic acid |
| caprylic acid |
| n-octylic acid |
| n-caprylic acid |
| octoic acid |
| OCTANOICACID |
| NATURAL CAPRYLIC ACID FEMA NO.2799 |
| 1-HEPTANECARBOXYLIC ACID |
| CAPRYLICACID |
| neo-fat 8 |
| OCTANOIC ACID FOR SYNTHESIS |
| CAPRYLIC ACID NATURAL |
| EINECS 204-677-5 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the upstream materials of octanoic acid? |
| A: Related upstream materials(CAS) of octanoic acid: 111-87-5;1871-67-6;5663-96-7;124-13-0;201230-82-2;124-11-8;818-44-0;111-86-4;2638-36-0;111-66-0. |
| Q: What is the boiling point of octanoic acid? |
| A: Boiling point of octanoic acid is 237 ºC. |
| Q: How is the water solubility of octanoic acid? |
| A: Water solubility of octanoic acid: 0.68 g/L (20 ºC). |
| Q: What is the SMILES notation of octanoic acid? |
| A: SMILES notation of octanoic acid is CCCCCCCC(=O)O. |
| Q: What is the safety information for octanoic acid? |
| A: Safety information for octanoic acid: S26-S36/39-S45-S36/37/39-S25. |
| Q: What are the uses of octanoic acid? |
| A: Main uses of octanoic acid: Octanoic acid is an oily liquid with a slightly unpleasant rancid taste and used commercially in the production of esters used in perfumery and also in the manufacture of dyes. |
| Q: What is the CAS number of octanoic acid? |
| A: CAS number of octanoic acid is 124-07-2. |
| Q: What is the polar surface area (PSA) of octanoic acid? |
| A: Polar surface area (PSA) of octanoic acid is 37.30000. |
| Q: What is the molecular weight of octanoic acid? |
| A: Molecular weight of octanoic acid is 144.21100. |
| Q: What are the downstream products of octanoic acid? |
| A: Related downstream products(CAS) of octanoic acid: 111013-41-3;106-10-5;376-27-2;593-39-5;423-54-1;59558-23-5;36946-07-3;30711-41-2;538-23-8;19670-49-6. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| BioBioPha |
| Dayang Chem (Hangzhou) Co., Ltd. |