甲基庚烯酮（CAS 110-93-0）：分子式 C8H14O、分子量 126.20。
| CAS号 | 110-93-0 |
|---|---|
| 分子式 | C8H14O |
| 分子量 | 126.20 |
| 熔点 | FP: -67.1 °C |
| 沸点 | 173 °C @ 760 MM HG |
| LogP | 1.9 |
| 应用领域 | Uses: Found in oil of lemon grass、Used in organic synthesis and in perfumes and flavoring、[Hawley]、Used as flavor enhancer、[FDA] Used mainly for chemical synthesis (closed systems)、Also used in cleaning agents and as a flavor or aroma additive in cosmetics and food、[OECD SIDS]、ORGANIC SYNTHESIS、INEXPENSIVE PERFUMES、SYNTHETIC FLAVORING AGENT、FLAVORING AGENT IN NON-ALCOHOLIC BEVERAGES、IN ICE CREAM、ICES & CANDY、IN BAKED GOODS、IN GELATINS & PUDDINGS (ISOMERIC MIXT)、CHEM INT FOR ISOMETHEPTENE (6-METHYL-5-HEPTEN-2-ONE) & VITAMIN A (6-METHYL-5-HEPTEN-2-ONE)、FRAGRANCE (METHYLHEPTENONE & DERIVATIVES)、Use Classification: Fragrance Ingredients、Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Household Products: Information on 6 consumer products that contain 6-Methyl-5-Hepten-2-One in the following categories is provided:、• Auto Products、• Inside the Home、Information on 1 consumer products that contain Methylheptenone Isomers in the following categories is provided:、Methods of Manufacturing: FROM OIL OF LEMON GRASS OR BY CONTROLLED OXIDATION OF CORRESPONDING SECONDARY ALCOHOL.、REFLUX OF LEMONGRASS OIL OR CITRAL IN AQUEOUS POTASSIUM CARBONATE FOLLOWED BY FRACTIONATION、REACTION OF ACETOACETIC ESTER & METHYLBUTEN-3-OL-2 WITH ALUMINUM ALCOHOLATE FOLLOWED BY PYROLYSIS OF THE ESTER、U.S. Production: (1978) MORE THAN 9.1X10+5 G (ISOMERIC MIXT)、(1979) MORE THAN 9.1X10+5 G (ISOMERIC MIXT)、U.S. Imports: (1980) 9.98X10+6 G-PRINCPL CUSTMS DISTS (MIXT)、(1981) 9.11X10+6 G-PRINCPL CUSTMS DISTS (MIXT)、U.S. Exports: (1979) No Data、(1981) No Data、General Manufacturing Information: 5-Hepten-2-one、6-methyl-: ACTIVE、Heptenone、methyl-: ACTIVE、METHYL HEPTENONE WAS GIVEN GRAS STATUS BY FEMA (1965) & IS APPROVED BY THE FDA FOR FOOD USE (21 CFR 121.1164). THE COUNCIL OF EUROPE (1974) INCL METHYL HEPTENONE AT A LEVEL OF 1 PPM IN THE LIST OF ARTIFICIAL FLAVORING SUBSTANCES THAT MAY BE ADDED TO FOODSTUFFS WITHOUT HAZARD TO PUBLIC HEALTH.、FEMA NUMBER: 2707 LIMITATIONS: SYNTHETIC FLAVOR.、USE IN FRAGRANCES IN THE USA AMOUNTS TO APPROX 2000 LB、YR. CONCN IN FINAL PRODUCT (%): SOAP: USUAL 0.01、MAX 0.05、DETERGENT: USUAL 0.001、MAX 0.005、CREAMS、LOTIONS: USUAL 0.005、MAX 0.03、PERFUME: USUAL 0.04、MAX 0.3.、WHEN TESTED AGAINST WIDE VARIETY OF BACTERIA & FUNGI、METHYL HEPTENONE DISPLAYED MARKED ANTIBACTERIAL ACTIVITY & ONLY VERY LIMITED ANTIFUNGAL ACTIVITY. IT WAS ACTIVE AGAINST ALL SPECIES EXCEPT BACILLUS SUBTILIS & BACILLUS ANTHRACIS. |
登记用途：Uses: Found in oil of lemon grass、Used in organic synthesis and in perfumes and flavoring、[Hawley]、Used as flavor enhancer、[FDA] Used mainly for chemical synthesis (closed systems)、Also used in cleaning agents and as a flavor or aroma additive in cosmetics and food、[OECD SIDS]、ORGANIC SYNTHESIS、INEXPENSIVE PERFUMES、SYNTHETIC FLAVORING AGENT、FLAVORING AGENT IN NON-ALCOHOLIC BEVERAGES、IN ICE CREAM、ICES & CANDY、IN BAKED GOODS、IN GELATINS & PUDDINGS (ISOMERIC MIXT)、CHEM INT FOR ISOMETHEPTENE (6-METHYL-5-HEPTEN-2-ONE) & VITAMIN A (6-METHYL-5-HEPTEN-2-ONE)、FRAGRANCE (METHYLHEPTENONE & DERIVATIVES)、Use Classification: Fragrance Ingredients、Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Household Products: Information on 6 consumer products that contain 6-Methyl-5-Hepten-2-One in the following categories is provided:、• Auto Products、• Inside the Home、Information on 1 consumer products that contain Methylheptenone Isomers in the following categories is provided:、Methods of Manufacturing: FROM OIL OF LEMON GRASS OR BY CONTROLLED OXIDATION OF CORRESPONDING SECONDARY ALCOHOL.、REFLUX OF LEMONGRASS OIL OR CITRAL IN AQUEOUS POTASSIUM CARBONATE FOLLOWED BY FRACTIONATION、REACTION OF ACETOACETIC ESTER & METHYLBUTEN-3-OL-2 WITH ALUMINUM ALCOHOLATE FOLLOWED BY PYROLYSIS OF THE ESTER、U.S. Production: (1978) MORE THAN 9.1X10+5 G (ISOMERIC MIXT)、(1979) MORE THAN 9.1X10+5 G (ISOMERIC MIXT)、U.S. Imports: (1980) 9.98X10+6 G-PRINCPL CUSTMS DISTS (MIXT)、(1981) 9.11X10+6 G-PRINCPL CUSTMS DISTS (MIXT)、U.S. Exports: (1979) No Data、(1981) No Data、General Manufacturing Information: 5-Hepten-2-one、6-methyl-: ACTIVE、Heptenone、methyl-: ACTIVE、METHYL HEPTENONE WAS GIVEN GRAS STATUS BY FEMA (1965) & IS APPROVED BY THE FDA FOR FOOD USE (21 CFR 121.1164). THE COUNCIL OF EUROPE (1974) INCL METHYL HEPTENONE AT A LEVEL OF 1 PPM IN THE LIST OF ARTIFICIAL FLAVORING SUBSTANCES THAT MAY BE ADDED TO FOODSTUFFS WITHOUT HAZARD TO PUBLIC HEALTH.、FEMA NUMBER: 2707 LIMITATIONS: SYNTHETIC FLAVOR.、USE IN FRAGRANCES IN THE USA AMOUNTS TO APPROX 2000 LB、YR. CONCN IN FINAL PRODUCT (%): SOAP: USUAL 0.01、MAX 0.05、DETERGENT: USUAL 0.001、MAX 0.005、CREAMS、LOTIONS: USUAL 0.005、MAX 0.03、PERFUME: USUAL 0.04、MAX 0.3.、WHEN TESTED AGAINST WIDE VARIETY OF BACTERIA & FUNGI、METHYL HEPTENONE DISPLAYED MARKED ANTIBACTERIAL ACTIVITY & ONLY VERY LIMITED ANTIFUNGAL ACTIVITY. IT WAS ACTIVE AGAINST ALL SPECIES EXCEPT BACILLUS SUBTILIS & BACILLUS ANTHRACIS.。
甲基庚烯酮 是一种化工化合物，登记 CAS 号为 110-93-0，分子式 C8H14O（分子量 126.20）。
登记 CAS 号：110-93-0
其分子式 C8H14O 由 8 个碳、14 个氢、1 个氧 组成。
别名/同义词：甲基庚烯酮 · 6-Methyl-5-hepten-2-one
甲基庚烯酮 的 CAS 登记号为 110-93-0。
分子式 C8H14O，分子量 126.20。
别名/同义词：甲基庚烯酮、6-Methyl-5-hepten-2-one。
登记用途：Uses: Found in oil of lemon grass、Used in organic synthesis and in perfumes and flavoring、[Hawley]、Used as flavor enhancer、[FDA] Used mainly for chemical synthesis (closed systems)、Also used in cleaning agents and as a flavor or aroma additive in cosmetics and food、[OECD SIDS]、ORGANIC SYNTHESIS、INEXPENSIVE PERFUMES、SYNTHETIC FLAVORING AGENT、FLAVORING AGENT IN NON-ALCOHOLIC BEVERAGES、IN ICE CREAM、ICES & CANDY、IN BAKED GOODS、IN GELATINS & PUDDINGS (ISOMERIC MIXT)、CHEM INT FOR ISOMETHEPTENE (6-METHYL-5-HEPTEN-2-ONE) & VITAMIN A (6-METHYL-5-HEPTEN-2-ONE)、FRAGRANCE (METHYLHEPTENONE & DERIVATIVES)、Use Classification: Fragrance Ingredients、Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Household Products: Information on 6 consumer products that contain 6-Methyl-5-Hepten-2-One in the following categories is provided:、• Auto Products、• Inside the Home、Information on 1 consumer products that contain Methylheptenone Isomers in the following categories is provided:、Methods of Manufacturing: FROM OIL OF LEMON GRASS OR BY CONTROLLED OXIDATION OF CORRESPONDING SECONDARY ALCOHOL.、REFLUX OF LEMONGRASS OIL OR CITRAL IN AQUEOUS POTASSIUM CARBONATE FOLLOWED BY FRACTIONATION、REACTION OF ACETOACETIC ESTER & METHYLBUTEN-3-OL-2 WITH ALUMINUM ALCOHOLATE FOLLOWED BY PYROLYSIS OF THE ESTER、U.S. Production: (1978) MORE THAN 9.1X10+5 G (ISOMERIC MIXT)、(1979) MORE THAN 9.1X10+5 G (ISOMERIC MIXT)、U.S. Imports: (1980) 9.98X10+6 G-PRINCPL CUSTMS DISTS (MIXT)、(1981) 9.11X10+6 G-PRINCPL CUSTMS DISTS (MIXT)、U.S. Exports: (1979) No Data、(1981) No Data、General Manufacturing Information: 5-Hepten-2-one、6-methyl-: ACTIVE、Heptenone、methyl-: ACTIVE、METHYL HEPTENONE WAS GIVEN GRAS STATUS BY FEMA (1965) & IS APPROVED BY THE FDA FOR FOOD USE (21 CFR 121.1164). THE COUNCIL OF EUROPE (1974) INCL METHYL HEPTENONE AT A LEVEL OF 1 PPM IN THE LIST OF ARTIFICIAL FLAVORING SUBSTANCES THAT MAY BE ADDED TO FOODSTUFFS WITHOUT HAZARD TO PUBLIC HEALTH.、FEMA NUMBER: 2707 LIMITATIONS: SYNTHETIC FLAVOR.、USE IN FRAGRANCES IN THE USA AMOUNTS TO APPROX 2000 LB、YR. CONCN IN FINAL PRODUCT (%): SOAP: USUAL 0.01、MAX 0.05、DETERGENT: USUAL 0.001、MAX 0.005、CREAMS、LOTIONS: USUAL 0.005、MAX 0.03、PERFUME: USUAL 0.04、MAX 0.3.、WHEN TESTED AGAINST WIDE VARIETY OF BACTERIA & FUNGI、METHYL HEPTENONE DISPLAYED MARKED ANTIBACTERIAL ACTIVITY & ONLY VERY LIMITED ANTIFUNGAL ACTIVITY. IT WAS ACTIVE AGAINST ALL SPECIES EXCEPT BACILLUS SUBTILIS & BACILLUS ANTHRACIS.。
甲基庚烯酮（CAS 110-93-0）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 110-93-0 |
|---|---|
| PubChem CID | 9862 |
| Molecular formula | C8H14O |
| Molecular weight | 126.10 g/mol |
| IUPAC name | 6-methylhept-5-en-2-one |
| InChIKey | UHEPJGULSIKKTP-UHFFFAOYSA-N |
| UNII (FDA) | 448353S93V |
| ChEBI ID | CHEBI:16310 |
| FEMA number | 2707 |
| JECFA number | 1120 |
| Molecular Weight | 126.20 |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 3 |
| Exact Mass | 126.104465066 |
| Monoisotopic Mass | 126.104465066 |
| Topological Polar Surface Area | 17.1 |
| Heavy Atom Count | 9 |
| Boiling Point | 173 °C @ 760 MM HG |
|---|---|
| Boiling Point | 72.00 to 73.00 °C. @ 18.00 mm Hg |
| Boiling Point | 173.1 °C |
| Melting Point | FP: -67.1 °C |
| Melting Point | -67 °C |
| Flash Point | 135 °F (57 °C) |
| Solubility | 3351 /mg/L @ 20 °C (exp) |
| Density | 0.8546 @ 16 °C/4 °C |
| Density | 0.846-0.854 |
| Vapor Density | 4.35 (AIR= 1) |
6-METHYL-5-HEPTEN-2-ONE; 6-Methylhept-5-en-2-one; 110-93-0; Sulcatone; METHYL HEPTENONE; 5-HEPTEN-2-ONE, 6-METHYL-; 2-Oxo-6-methylhept-5-ene; FEMA No. 2707; DTXSID5021629; NSC-15294; DTXCID501629; CHEBI:16310; RefChem:818618; DTXSID9027152; 203-816-7; Methylheptenone
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVOR ENHANCER Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Citrus, Mushroom, Pepper, Rubber, Strawberry No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 0.1% (1 / 1601) |
| GHS notification summary | 0.1% (1 / 1601) |
|---|---|
| Reported hazard statements | H226 (100%), H319 (74.4%), H302 (83.5%), H315 (83.8%), H317 (85.3%), H320, H336 |
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
H319 (74.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
6-Methyl-5-hepten-2-one is identified by CAS 110-93-0, molecular formula C8H14O and molecular weight 126.10 g/mol. UNII 448353S93V; ChEBI 16310; InChIKey UHEPJGULSIKKTP-UHFFFAOYSA-N. Boiling Point: 173 °C @ 760 MM HG; Boiling Point: 72.00 to 73.00 °C. @ 18.00 mm Hg; Boiling Point: 173.1 °C.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: 6-Methyl-5-hepten-2-one