2-辛酮（CAS 111-13-7）：分子式 C8H16O、分子量 128.21。
| CAS号 | 111-13-7 |
|---|---|
| 分子式 | C8H16O |
| 分子量 | 128.21 |
| 熔点 | -16 °C |
| 沸点 | 173.5 |
| LogP | 2.4 |
| 应用领域 | Uses: Used in perfumes、flavorings、and odorants、Also used as a high-boiling solvent (especially for epoxy resin coatings)、Also used in leather finishes and nitrocellulose lacquers、[Hawley] Used as a flavoring agent、[FDA]、Painting (Solvents) [Category: Paint]、Plastic Composites Manufacturing [Category: Industry]、Leather Tanning and Processing [Category: Industry]、In perfumes、high-boiling solvent、especially for epoxy resin coatings、in leather finishes、flavoring、odorant、anti-blushing agent for nitrocellulose lacquers.、2-Octanone is used as an intermediate and in fragrance compositions.、...USEFUL IN CHEESE FLAVORS.、Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Consumer Uses: Fragrance、Methods of Manufacturing: By oxidation of methyl hexyl carbinol with K2Cr2O7 and sulfuric acid、also by oxidation of 2-octanol over zinc oxide at 330-340 °C.、By distilling sodium ricinoleate with caustic soda.、2-Octanone is produced industrially by two methods: Reductive condensation of acetone with pentanal ...、and by、oxidation of 1-octene with hydrogen peroxide in the presence of a catalyst containing rhenium oxide or a special palladium-copper catalyst in the presence of nitriles.、Formulations、Preparations: ASSAY: 98% MINIMUM、U.S. Production: 2023: 50、000 - <75、000 lb、2022: 50、2021: 25、000 - <50、2020: 25、(1979) PROBABLY GREATER THAN 2.27X10+6 GRAMS、(1981) PROBABLY GREATER THAN 2.27X10+6 GRAMS、(1986) 10 thousand-500 thousand pounds、(1990) >500 thousand-1 million pounds、For more U.S. Production (Complete) data for 2-OCTANONE (7 total)、please visit the HSDB record page.、General Manufacturing Information: 2-Octanone: ACTIVE、Baked goods、252.9 ppm、Cheese 333.5 ppm、Frozen dairy、23.50 ppm、Condiment、relish、1.0 ppm、Softcandy、16.67 ppm、Gelatin、pudding 15.04 ppm、Snack foods、2.00 ppm、Non-alcoholic beverages、7.00 ppm、Alcoholic beverages、0.10 ppm.、CONCN IN FINAL PRODUCT (%): SOAP: USUAL 0.01、MAX 0.1、DETERGENT: USUAL 0.003、MAX 0.01、CREAMS、LOTIONS: USUAL 0.005、MAX 0.02、PERFUME: USUAL 0.04、MAX 0.4.、THE COUNCIL OF EUROPE (1974) INCLUDED METHYL HEXYL KETONE AT A LEVEL OF 2 PPM IN THE LIST OF ARTIFICIAL FLAVORING SUBSTANCES THAT MAY BE ADDED TO FOODSTUFFS WITHOUT HAZARD TO PUBLIC HEALTH. |
登记用途：Uses: Used in perfumes、flavorings、and odorants、Also used as a high-boiling solvent (especially for epoxy resin coatings)、Also used in leather finishes and nitrocellulose lacquers、[Hawley] Used as a flavoring agent、[FDA]、Painting (Solvents) [Category: Paint]、Plastic Composites Manufacturing [Category: Industry]、Leather Tanning and Processing [Category: Industry]、In perfumes、high-boiling solvent、especially for epoxy resin coatings、in leather finishes、flavoring、odorant、anti-blushing agent for nitrocellulose lacquers.、2-Octanone is used as an intermediate and in fragrance compositions.、...USEFUL IN CHEESE FLAVORS.、Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Consumer Uses: Fragrance、Methods of Manufacturing: By oxidation of methyl hexyl carbinol with K2Cr2O7 and sulfuric acid、also by oxidation of 2-octanol over zinc oxide at 330-340 °C.、By distilling sodium ricinoleate with caustic soda.、2-Octanone is produced industrially by two methods: Reductive condensation of acetone with pentanal ...、and by、oxidation of 1-octene with hydrogen peroxide in the presence of a catalyst containing rhenium oxide or a special palladium-copper catalyst in the presence of nitriles.、Formulations、Preparations: ASSAY: 98% MINIMUM、U.S. Production: 2023: 50、000 - <75、000 lb、2022: 50、2021: 25、000 - <50、2020: 25、(1979) PROBABLY GREATER THAN 2.27X10+6 GRAMS、(1981) PROBABLY GREATER THAN 2.27X10+6 GRAMS、(1986) 10 thousand-500 thousand pounds、(1990) >500 thousand-1 million pounds、For more U.S. Production (Complete) data for 2-OCTANONE (7 total)、please visit the HSDB record page.、General Manufacturing Information: 2-Octanone: ACTIVE、Baked goods、252.9 ppm、Cheese 333.5 ppm、Frozen dairy、23.50 ppm、Condiment、relish、1.0 ppm、Softcandy、16.67 ppm、Gelatin、pudding 15.04 ppm、Snack foods、2.00 ppm、Non-alcoholic beverages、7.00 ppm、Alcoholic beverages、0.10 ppm.、CONCN IN FINAL PRODUCT (%): SOAP: USUAL 0.01、MAX 0.1、DETERGENT: USUAL 0.003、MAX 0.01、CREAMS、LOTIONS: USUAL 0.005、MAX 0.02、PERFUME: USUAL 0.04、MAX 0.4.、THE COUNCIL OF EUROPE (1974) INCLUDED METHYL HEXYL KETONE AT A LEVEL OF 2 PPM IN THE LIST OF ARTIFICIAL FLAVORING SUBSTANCES THAT MAY BE ADDED TO FOODSTUFFS WITHOUT HAZARD TO PUBLIC HEALTH.。
2-辛酮 是一种化工化合物，登记 CAS 号为 111-13-7，分子式 C8H16O（分子量 128.21）。
登记 CAS 号：111-13-7
其分子式 C8H16O 由 8 个碳、16 个氢、1 个氧 组成。
别名/同义词：2-辛酮 · 2-Octanone
2-辛酮 的 CAS 登记号为 111-13-7。
分子式 C8H16O，分子量 128.21。
别名/同义词：2-辛酮、2-Octanone。
登记用途：Uses: Used in perfumes、flavorings、and odorants、Also used as a high-boiling solvent (especially for epoxy resin coatings)、Also used in leather finishes and nitrocellulose lacquers、[Hawley] Used as a flavoring agent、[FDA]、Painting (Solvents) [Category: Paint]、Plastic Composites Manufacturing [Category: Industry]、Leather Tanning and Processing [Category: Industry]、In perfumes、high-boiling solvent、especially for epoxy resin coatings、in leather finishes、flavoring、odorant、anti-blushing agent for nitrocellulose lacquers.、2-Octanone is used as an intermediate and in fragrance compositions.、...USEFUL IN CHEESE FLAVORS.、Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Consumer Uses: Fragrance、Methods of Manufacturing: By oxidation of methyl hexyl carbinol with K2Cr2O7 and sulfuric acid、also by oxidation of 2-octanol over zinc oxide at 330-340 °C.、By distilling sodium ricinoleate with caustic soda.、2-Octanone is produced industrially by two methods: Reductive condensation of acetone with pentanal ...、and by、oxidation of 1-octene with hydrogen peroxide in the presence of a catalyst containing rhenium oxide or a special palladium-copper catalyst in the presence of nitriles.、Formulations、Preparations: ASSAY: 98% MINIMUM、U.S. Production: 2023: 50、000 - <75、000 lb、2022: 50、2021: 25、000 - <50、2020: 25、(1979) PROBABLY GREATER THAN 2.27X10+6 GRAMS、(1981) PROBABLY GREATER THAN 2.27X10+6 GRAMS、(1986) 10 thousand-500 thousand pounds、(1990) >500 thousand-1 million pounds、For more U.S. Production (Complete) data for 2-OCTANONE (7 total)、please visit the HSDB record page.、General Manufacturing Information: 2-Octanone: ACTIVE、Baked goods、252.9 ppm、Cheese 333.5 ppm、Frozen dairy、23.50 ppm、Condiment、relish、1.0 ppm、Softcandy、16.67 ppm、Gelatin、pudding 15.04 ppm、Snack foods、2.00 ppm、Non-alcoholic beverages、7.00 ppm、Alcoholic beverages、0.10 ppm.、CONCN IN FINAL PRODUCT (%): SOAP: USUAL 0.01、MAX 0.1、DETERGENT: USUAL 0.003、MAX 0.01、CREAMS、LOTIONS: USUAL 0.005、MAX 0.02、PERFUME: USUAL 0.04、MAX 0.4.、THE COUNCIL OF EUROPE (1974) INCLUDED METHYL HEXYL KETONE AT A LEVEL OF 2 PPM IN THE LIST OF ARTIFICIAL FLAVORING SUBSTANCES THAT MAY BE ADDED TO FOODSTUFFS WITHOUT HAZARD TO PUBLIC HEALTH.。
2-辛酮（CAS 111-13-7）的独立参考数据，整理自公开化学数据库。
| CAS 号 | 111-13-7 |
|---|---|
| PubChem CID | 8093 |
| 分子式 | C8H16O |
| 分子量 | 128.12 g/mol |
| IUPAC 名称 | octan-2-one |
| InChIKey | ZPVFWPFBNIEHGJ-UHFFFAOYSA-N |
| UNII（FDA） | J2G84H29AF |
| ChEBI 编号 | CHEBI:87434 |
| FEMA 编号 | 2802 |
| JECFA 编号 | 288 |
| Molecular Weight | 128.21 |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 5 |
| Exact Mass | 128.120115130 |
| Monoisotopic Mass | 128.120115130 |
| Topological Polar Surface Area | 17.1 |
| Heavy Atom Count | 9 |
| Boiling Point | 173.5 |
|---|---|
| Boiling Point | 173.00 to 175.00 °C. @ 760.00 mm Hg |
| Boiling Point | 174-175 °C |
| Boiling Point | 172.5 °C @760 [mm Hg] |
| Melting Point | -16 °C |
| Flash Point | 125 °F (52 °C) (Closed cup) |
| Solubility | In water, 899 mg/L at 20 °C |
| Solubility | 0.899 mg/mL at 20 °C |
| Density | 0.820 at 20 °C/4 °C |
| Density | 0.813-0.819 |
2-OCTANONE; Octan-2-one; 111-13-7; Hexyl methyl ketone; Methyl hexyl ketone; n-Hexyl methyl ketone; Methyl n-hexyl ketone; 2-Oxooctane; FEMA No. 2802; FEMA Number 2802; J2G84H29AF; DTXSID4021927; NSC-3712; CHEBI:87434; RefChem:88855; DTXCID301927
| 法规与食品接触 | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Fat, Fragrant, Mold No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS 通报统计 | 0.8% (15 / 1970) |
| GHS 通报统计 | 0.8% (15 / 1970) |
|---|---|
| 已通报的危害声明 | H226 (99%), H319, H336 |
2-辛酮 的 CAS 号为 111-13-7，分子式 C8H16O，分子量 128.12 g/mol。 UNII J2G84H29AF; ChEBI 87434; InChIKey ZPVFWPFBNIEHGJ-UHFFFAOYSA-N. Boiling Point: 173.5; Boiling Point: 173.00 to 175.00 °C. @ 760.00 mm Hg; Boiling Point: 174-175 °C.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: 2-Octanone