METHYL HEPTENONE (CAS 409-02-9) — formula C8H14O, molecular weight 126.20; category organic chemicals.
| CAS Number | 409-02-9 |
|---|---|
| Molecular Formula | C8H14O |
| Molecular Weight | 126.20 |
| Melting Point | FP: -67.1 °C |
| Boiling Point | 173 °C @ 760 MM HG |
| LogP | 1.9 |
| Applications | 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. |
| Category | Organic Chemicals |
Documented applications: 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..
METHYL HEPTENONE is a carbon-based organic compound with CAS registry number 409-02-9 and molecular formula C8H14O (molecular weight 126.20), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 409-02-9
Its molecular formula C8H14O comprises 8 C, 14 H, 1 O atoms.
Also known as: METHYL HEPTENONE · 甲基庚烯酮
Category: organic chemicals
The CAS registry number of METHYL HEPTENONE is 409-02-9.
Molecular formula C8H14O, molecular weight 126.20.
It is also registered under: METHYL HEPTENONE, 甲基庚烯酮.
Recorded applications: 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..
Category: Organic Chemicals.
Independent reference data for METHYL HEPTENONE (CAS 409-02-9), compiled from public chemistry databases.
| CAS Registry Number | 409-02-9 |
|---|---|
| PubChem CID | 9862 |
| Molecular formula | C8H14O |
| IUPAC name | 6-methylhept-5-en-2-one |
| UNII (FDA) | 448353S93V |
| 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]
METHYL HEPTENONE · CAS 409-02-9 · C8H14O. UNII 448353S93V. Boiling Point: 173 °C @ 760 MM HG; Boiling Point: 72.00 to 73.00 °C. @ 18.00 mm Hg; Boiling Point: 173.1 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 甲基庚烯酮