Introduction：Basic information about CAS 111-11-5|Methyl octylate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Methyl octylate |
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| CAS Number | 111-11-5 | Molecular Weight | 158.238 |
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| Density | 0.9±0.1 g/cm3 | Boiling Point | 191.1±3.0 °C at 760 mmHg |
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| Molecular Formula | C9H18O2 | Melting Point | -40°C |
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| MSDS | ChineseUSA | Flash Point | 72.8±0.0 °C |
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Names
| Name | methyl octanoate |
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| Synonym | More Synonyms |
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Methyl octylate BiologicalActivity
| Description | Methyl octanoate, a volatile compound, is an aroma component persimmon wine[1]. |
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| Related Catalog | Research Areas >>OthersSignaling Pathways >>Others >>Others |
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| References | [1]. Lu Y, et, al. Changes in the physicochemical components, polyphenol profile, and flavor of persimmon wine during spontaneous and inoculated fermentation. Food Sci Nutr. 2020 Apr 14;8(6):2728-2738. |
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Chemical & Physical Properties
| Density | 0.9±0.1 g/cm3 |
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| Boiling Point | 191.1±3.0 °C at 760 mmHg |
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| Melting Point | -40°C |
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| Molecular Formula | C9H18O2 |
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| Molecular Weight | 158.238 |
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| Flash Point | 72.8±0.0 °C |
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| Exact Mass | 158.130676 |
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| PSA | 26.30000 |
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| LogP | 3.37 |
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| Vapour Pressure | 0.5±0.4 mmHg at 25°C |
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| Index of Refraction | 1.418 |
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| InChIKey | JGHZJRVDZXSNKQ-UHFFFAOYSA-N |
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| SMILES | CCCCCCCC(=O)OC |
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| Storage condition | −20°C |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- RH0778000
- CHEMICAL NAME :
- Octanoic acid, methyl ester
- CAS REGISTRY NUMBER :
- 111-11-5
- BEILSTEIN REFERENCE NO. :
- 1752270
- LAST UPDATED :
- 199710
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C9-H18-O2
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 48 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- RESJAS Journal of the Reticuloendothelial Society. (1964) (Res: Journal of the Reticuloendothelial Society, New York) V.1(1)-14(6), 1964-73. Volume(issue)/page/year: 3,250,1966 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X3714 No. of Facilities: 42 (estimated) No. of Industries: 1 No. of Occupations: 3 No. of Employees: 382 (estimated)
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Safety Information
| Personal Protective Equipment | Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
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| Hazard Codes | Xi |
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| Risk Phrases | 38 |
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| Safety Phrases | S24/25 |
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| WGK Germany | 1 |
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| RTECS | RH0778000 |
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| HS Code | 29159080 |
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Customs
| HS Code | 2915900090 |
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| 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% |
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Articles10
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| Optimization of supercritical fluid consecutive extractions of fatty acids and polyphenols from Vitis vinifera grape wastes. J. Food Sci. 80(1) , E101-7, (2015) In this study, supercritical fluid extraction has been successfully applied to a sequential fractionation of fatty acids and polyphenols from wine wastes (2 different vitis vinifera grapes). To this a... | |
| Use of Commercial Dry Yeast Products Rich in Mannoproteins for White and Rosé Sparkling Wine Elaboration. J. Agric. Food Chem. 63 , 5670-81, (2015) In sparkling wines, mannoproteins released during yeast autolysis largely affect their final quality. This process is very slow and may take several months. The aim of this work was to study the effec... | |
| Evaluation of injection methods for fast, high peak capacity separations with low thermal mass gas chromatography. J. Chromatogr. A. 1392 , 82-90, (2015) Low thermal mass gas chromatography (LTM-GC) was evaluated for rapid, high peak capacity separations with three injection methods: liquid, headspace solid phase micro-extraction (HS-SPME), and direct ... | |
Synonyms
| caprylic chloride |
| OCLANOYL CHLORIDE |
| caprylic diester |
| Methyloctanoate |
| Methyl octanoate |
| methyl enanthate |
| N-CAPRYLY CHLORIDE |
| Octanoic acid, methyl ester |
| EINECS 203-835-0 |
| Xin chloride |
| Caprylic acid methyl ester |
| MFCD00009551 |
| CAPRYLYL CHLORIDE |
| Methyl n-Octanoate |
| n-Octanoyl chloride |
| Methyl octylate |
| OTCL |
| caprylic acid chloride |
| Methyl caprylate |
| octanoic acid methyl ester |
| Caprylyl chlorid |
| octanoicchloride |
| UNII-7MO740X6QL |
| capryloyl chloride |
| n-Caprylchloride |
| octanoic acid chloride |
| n-Octanoic Acid Methyl Ester |
