辛酸甲酯;天然 辛酸甲酯（CAS 111-11-5）：分子式 C9H18O2、分子量 158.24。
| CAS号 | 111-11-5 |
|---|---|
| 分子式 | C9H18O2 |
| 分子量 | 158.24 |
| 熔点 | -40 °C |
| 沸点 | 192.9 °C @ 760 mm Hg |
| LogP | 3.6 |
| 应用领域 | Uses: Used as a flavoring ingredient and as an intermediate for caprylic acid detergents、emulsifiers、wetting agents、stabilizers、plasticizers、resins、lubricants、alkanolamides、fatty alcohols、and acids、[HSDB]、Intermediate for caprylic acid detergents、flavoring、CHEM INT-EG、FOR ALKANOLAMIDES、FATTY ALCOHOLS & ACIDS、FLAVORING AGENT、EG、IN CANDY & BAKED GOODS、Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Cosmetics -> Emollient、Skin conditioning、Industry Uses: Intermediate、Household Products: Information on 1 consumer products that contain Methyl Caprylate in the following categories is provided:、• Inside the Home、Methods of Manufacturing: a) esterification of caprylic acid with methanol、b) alcoholysis of coconut oil.、REACTION OF TRIGLYCERIDES、COCONUT OR PALM KERNEL OIL、WITH METHANOL FOLLOWED BY FRACTIONAL DISTILLATION、REACTION OF CAPRYLIC ACID WITH METHANOL、Formulations、Preparations: Grades: technical、99.8%、U.S. Production: 2023: 5、000、000 - <10、000 lb、2022: 5、2021: 5、2020: 5、(1979) No Data、(1981) No Data、General Manufacturing Information: All Other Basic Organic Chemical Manufacturing、Octanoic acid、methyl ester: ACTIVE、Methyl caprylate...has antibacterial、antilarval、and miticidal properties. ... methyl octanoate occasionally occurs mixed with methyl decanoate.、METHYL ESTER OF CAPRYLATE WAS ALSO STUDIED AND FOUND TO BE A GROWTH INHIBITOR AND WAS EFFECTIVE @ 1%.、NON-ALCOHOLIC BEVERAGES 0.02-1.0 PPM、ICE CREAM、ICES ETC 1.0-10 PPM、CANDY 13 PPM、BAKED GOODS 1.0-40 PPM.、FEMA NUMBER 2728、For more General Manufacturing Information (Complete) data for OCTANOIC ACID、METHYL ESTER (6 total)、please visit the HSDB record page. |
登记用途：Uses: Used as a flavoring ingredient and as an intermediate for caprylic acid detergents、emulsifiers、wetting agents、stabilizers、plasticizers、resins、lubricants、alkanolamides、fatty alcohols、and acids、[HSDB]、Intermediate for caprylic acid detergents、flavoring、CHEM INT-EG、FOR ALKANOLAMIDES、FATTY ALCOHOLS & ACIDS、FLAVORING AGENT、EG、IN CANDY & BAKED GOODS、Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Cosmetics -> Emollient、Skin conditioning、Industry Uses: Intermediate、Household Products: Information on 1 consumer products that contain Methyl Caprylate in the following categories is provided:、• Inside the Home、Methods of Manufacturing: a) esterification of caprylic acid with methanol、b) alcoholysis of coconut oil.、REACTION OF TRIGLYCERIDES、COCONUT OR PALM KERNEL OIL、WITH METHANOL FOLLOWED BY FRACTIONAL DISTILLATION、REACTION OF CAPRYLIC ACID WITH METHANOL、Formulations、Preparations: Grades: technical、99.8%、U.S. Production: 2023: 5、000、000 - <10、000 lb、2022: 5、2021: 5、2020: 5、(1979) No Data、(1981) No Data、General Manufacturing Information: All Other Basic Organic Chemical Manufacturing、Octanoic acid、methyl ester: ACTIVE、Methyl caprylate...has antibacterial、antilarval、and miticidal properties. ... methyl octanoate occasionally occurs mixed with methyl decanoate.、METHYL ESTER OF CAPRYLATE WAS ALSO STUDIED AND FOUND TO BE A GROWTH INHIBITOR AND WAS EFFECTIVE @ 1%.、NON-ALCOHOLIC BEVERAGES 0.02-1.0 PPM、ICE CREAM、ICES ETC 1.0-10 PPM、CANDY 13 PPM、BAKED GOODS 1.0-40 PPM.、FEMA NUMBER 2728、For more General Manufacturing Information (Complete) data for OCTANOIC ACID、METHYL ESTER (6 total)、please visit the HSDB record page.。
辛酸甲酯;天然 辛酸甲酯 是一种化工化合物，登记 CAS 号为 111-11-5，分子式 C9H18O2（分子量 158.24）。
登记 CAS 号：111-11-5
其分子式 C9H18O2 由 9 个碳、18 个氢、2 个氧 组成。
别名/同义词：辛酸甲酯;天然 辛酸甲酯 · METHYL OCTANOATE · METHYL CAPRYLATE
辛酸甲酯;天然 辛酸甲酯 的 CAS 登记号为 111-11-5。
分子式 C9H18O2，分子量 158.24。
别名/同义词：辛酸甲酯;天然 辛酸甲酯、METHYL OCTANOATE、METHYL CAPRYLATE。
登记用途：Uses: Used as a flavoring ingredient and as an intermediate for caprylic acid detergents、emulsifiers、wetting agents、stabilizers、plasticizers、resins、lubricants、alkanolamides、fatty alcohols、and acids、[HSDB]、Intermediate for caprylic acid detergents、flavoring、CHEM INT-EG、FOR ALKANOLAMIDES、FATTY ALCOHOLS & ACIDS、FLAVORING AGENT、EG、IN CANDY & BAKED GOODS、Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Cosmetics -> Emollient、Skin conditioning、Industry Uses: Intermediate、Household Products: Information on 1 consumer products that contain Methyl Caprylate in the following categories is provided:、• Inside the Home、Methods of Manufacturing: a) esterification of caprylic acid with methanol、b) alcoholysis of coconut oil.、REACTION OF TRIGLYCERIDES、COCONUT OR PALM KERNEL OIL、WITH METHANOL FOLLOWED BY FRACTIONAL DISTILLATION、REACTION OF CAPRYLIC ACID WITH METHANOL、Formulations、Preparations: Grades: technical、99.8%、U.S. Production: 2023: 5、000、000 - <10、000 lb、2022: 5、2021: 5、2020: 5、(1979) No Data、(1981) No Data、General Manufacturing Information: All Other Basic Organic Chemical Manufacturing、Octanoic acid、methyl ester: ACTIVE、Methyl caprylate...has antibacterial、antilarval、and miticidal properties. ... methyl octanoate occasionally occurs mixed with methyl decanoate.、METHYL ESTER OF CAPRYLATE WAS ALSO STUDIED AND FOUND TO BE A GROWTH INHIBITOR AND WAS EFFECTIVE @ 1%.、NON-ALCOHOLIC BEVERAGES 0.02-1.0 PPM、ICE CREAM、ICES ETC 1.0-10 PPM、CANDY 13 PPM、BAKED GOODS 1.0-40 PPM.、FEMA NUMBER 2728、For more General Manufacturing Information (Complete) data for OCTANOIC ACID、METHYL ESTER (6 total)、please visit the HSDB record page.。
辛酸甲酯;天然 辛酸甲酯（CAS 111-11-5）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 111-11-5 |
|---|---|
| PubChem CID | 8091 |
| Molecular formula | C9H18O2 |
| Molecular weight | 158.13 g/mol |
| IUPAC name | methyl octanoate |
| InChIKey | JGHZJRVDZXSNKQ-UHFFFAOYSA-N |
| UNII (FDA) | 7MO740X6QL |
| ChEBI ID | CHEBI:87432 |
| FEMA number | 2728 |
| JECFA number | 173 |
| Molecular Weight | 158.24 |
|---|---|
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 7 |
| Exact Mass | 158.130679813 |
| Monoisotopic Mass | 158.130679813 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 11 |
| Boiling Point | 192.9 °C @ 760 mm Hg |
|---|---|
| Boiling Point | 194.00 to 195.00 °C. @ 760.00 mm Hg |
| Boiling Point | 194-195 °C |
| Melting Point | -40 °C |
| Solubility | In water, 64.4 mg/l @ 20 °C |
| Solubility | 0.0644 mg/mL at 20 °C |
| Density | 0.8775 @ 20 °C/4 °C |
| Density | 0.875-0.890 |
| Refractive Index | 1.413-1.422 |
| Formulations/Preparations | Grades: technical; 99.8% |
Methyl octanoate; 111-11-5; Methyl caprylate; Caprylic acid methyl ester; Methyl n-octanoate; Octanoic acid methyl ester; OCTANOIC ACID, METHYL ESTER; Uniphat A20; Methyl octylate; FEMA No. 2728; DTXSID2026864; formyl octanoate; 7MO740X6QL; DTXCID606864; CHEBI:87432; NSC-3710
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Fruit, Orange, Wax, Wine No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 11.3% (206 / 1827) |
| GHS notification summary | 11.3% (206 / 1827) |
|---|---|
| Reported hazard statements | H317 (88%), H227 |
This chemical does not meet GHS hazard criteria for 11.3% (206 of 1827) of reports.
H317 (88%): May cause an allergic skin reaction [Warning Sensitization, Skin]
METHYL CAPRYLATE is identified by CAS 111-11-5, molecular formula C9H18O2 and molecular weight 158.13 g/mol. UNII 7MO740X6QL; ChEBI 87432; InChIKey JGHZJRVDZXSNKQ-UHFFFAOYSA-N. Boiling Point: 192.9 °C @ 760 mm Hg; Boiling Point: 194.00 to 195.00 °C. @ 760.00 mm Hg; Boiling Point: 194-195 °C.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: METHYL OCTANOATE