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Category: flavor and fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
| Appearance: | yellow clear oily liquid (est) |
| Assay: | 97.00 to 100.00 %
|
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.94100 to 0.94900 @ 20.00 °C.
|
| Pounds per Gallon - (est).: | 7.839 to 7.906
|
| Refractive Index: | 1.39900 to 1.41200 @ 20.00 °C.
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| Melting Point: | -10.00 °C. @ 760.00 mm Hg
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| Boiling Point: | 123.00 to 125.00 °C. @ 760.00 mm Hg
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| Boiling Point: | 49.00 °C. @ 13.00 mm Hg
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| Vapor Pressure: | 9.907000 mmHg @ 25.00 °C. (est) |
| Vapor Density: | 3.9 ( Air = 1 ) |
| Flash Point: | 88.00 °F. TCC ( 31.11 °C. )
|
| logP (o/w): | -0.321 (est) |
| Soluble in: |
| | alcohol | | | water, slightly | | | water, 2.113e+005 mg/L @ 25 °C (est) |
| Insoluble in: |
| | water |
Organoleptic Properties:
| |
| Odor Type: buttery |
| |
| | buttery almond toasted almond nutty caramellic |
Odor Description: at 1.00 % in dipropylene glycol. | buttery toasted almond nutty caramellic |
| |
| |
| Flavor Type: buttery |
| |
| | caramellic nutty buttery |
Taste Description:
| caramel nutty buttery |
| |
| Odor and/or flavor descriptions from others (if found). |
| |
| Ernesto Ventós |
| 3,4-HEXANEDIONE |
| Odor Description: | BUTTER,TOASTED,ALMOND,NUTTY,CARAMEL |
| Taste Description: | butter |
| |
| |
Cosmetic Information:
Suppliers:
| Augustus Oils |
| 3,4 Hexanedione
|
| Services |
| Beijing Lys Chemicals |
| 3,4-Hexanedione
|
| BOC Sciences |
| For experimental / research use only. |
| 3,4-Hexanedione
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| Charkit Chemical |
| HEXANEDIONE, 3,4- H0450 FEMA 3168
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| DeLong Chemicals America |
| 3,4-Hexanedione
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| Ernesto Ventós |
| 3,4-HEXANEDIONE
Odor: BUTTER,TOASTED,ALMOND,NUTTY,CARAMEL |
| FCI SAS |
| 3,4-HEXANEDIONE
Odor: Butyric sweet |
| Frutarom |
| 3,4-HEXANEDIONE
KOSHER Flavor: Buttery, Almond, Toasted, Nutty, Caramellic |
| CBD Offering |
| IFF |
| 3,4-HEXANEDIONE
KOSHER Flavor: Buttery, Almond, Toasted, Nutty, Caramellic |
| Jinan Enlighten Chemical Technology(Wutong Aroma ) |
| 3,4-Hexanedione, Kosherk
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| Kingchem Laboratories |
| 3, 4 HEXANEDIONE, 96.00%+
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| Kingchem Laboratories |
| 3, 4 HEXANEDIONE
Odor: Butyric sweet |
| M&U International |
| 3,4-HEXANEDIONE, Kosher
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| O'Laughlin Industries |
| 3,4-HEXANEDIONE
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| Penta International |
| 3,4-HEXANEDIONE
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| Santa Cruz Biotechnology |
| For experimental / research use only. |
| 3,4-Hexanedione ≥94%
|
| Sigma-Aldrich |
| 3,4-Hexanedione, ≥90%
Odor: caramel; creamy; coffee |
| Certified Food Grade Products |
| Sunaux International |
| 3,4-Hexanedione
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| Synerzine |
| 3,4-Hexanedione
|
| Taytonn ASCC |
| 3,4-Hexanedione
Odor: Buttery, Caramellic/ Caramel, Pungent |
| TCI AMERICA |
| For experimental / research use only. |
| 3,4-Hexanedione >96.0%(GC)
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| Tengzhou Jitian Aroma Chemiclal |
| 3,4-Hexanedione
|
| Tianjin Danjun International |
| 3,4-Hexanedione
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| United International |
| 3,4-Hexanedione
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| WholeChem |
| 3,4-Hexanedione
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Safety Information:
| Preferred SDS: View |
| European information : |
| Most important hazard(s): | | Xi - Irritant |
R 10 - Flammable. R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
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| |
| Hazards identification |
| |
| Classification of the substance or mixture |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) |
| None found. |
| GHS Label elements, including precautionary statements |
| |
| Pictogram | |
| |
| Hazard statement(s) |
| None found. |
| Precautionary statement(s) |
| None found. |
| Oral/Parenteral Toxicity: |
oral-rat LD50 > 5000 mg/kg
|
| Dermal Toxicity: |
skin-rabbit LD50 > 5000 mg/kg
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| Inhalation Toxicity: |
|
Not determined
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Safety in Use Information:
| Category: | flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment: Search |
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice |
| Recommendation for 3,4-hexane dione usage levels up to: | | | 1.0000 % in the fragrance concentrate.
|
| |
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 21.00 (μg/capita/day) |
| Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). |
| The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library |
| publication number: 4 |
| Click here to view publication 4 |
| | average usual ppm | average maximum ppm |
| baked goods: | - | - |
| beverages(nonalcoholic): | - | 10.00000 |
| beverages(alcoholic): | - | - |
| breakfast cereal: | - | - |
| cheese: | - | - |
| chewing gum: | - | - |
| condiments / relishes: | - | - |
| confectionery froastings: | - | - |
| egg products: | - | - |
| fats / oils: | - | - |
| fish products: | - | - |
| frozen dairy: | - | 10.00000 |
| fruit ices: | - | 10.00000 |
| gelatins / puddings: | - | 10.00000 |
| granulated sugar: | - | - |
| gravies: | - | - |
| hard candy: | - | 10.00000 |
| imitation dairy: | - | - |
| instant coffee / tea: | - | - |
| jams / jellies: | - | - |
| meat products: | - | - |
| milk products: | - | - |
| nut products: | - | - |
| other grains: | - | - |
| poultry: | - | - |
| processed fruits: | - | - |
| processed vegetables: | - | - |
| reconstituted vegetables: | - | - |
| seasonings / flavors: | - | - |
| snack foods: | - | - |
| soft candy: | - | - |
| soups: | - | - |
| sugar substitutes: | - | - |
| sweet sauces: | - | - |
Safety References:
| European Food Safety Athority(EFSA): | Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| European Food Safety Authority (EFSA) reference(s): |
Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 11 (FGE.11): Aliphatic dialcohols, diketones, and hydroxyketones from chemical group 10 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf |
Flavouring Group Evaluation 11, Revision 1 (FGE.11Rev1) - Aliphatic dialcohols, diketones, and hydroxyketones from chemical group 10 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf |
Safety and efficacy of secondary aliphatic saturated or unsaturated alcohols, ketones, ketals and esters with a second secondary or tertiary oxygenated functional group belonging to chemical group 10 when used as flavourings for all animal species View page or View pdf |
| EPI System: | View |
| Chemical Carcinogenesis Research Information System: | Search |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 4437-51-8 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 62539 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WISER: | UN 1224 |
| WGK Germany: | 1 |
| | hexane-3,4-dione |
| Chemidplus: | 0004437518 |
References:
Other Information:
Potential Blenders and core components note
| |
| For Odor |
| No odor group found for these |
| | butter starter distillates | FL/FR |
| acidic |
| iso | butyric acid | FL/FR |
| 2- | methyl butyric acid | FL/FR |
| aldehydic |
| | acetyl nonyryl | FL/FR |
| balsamic |
| | cinnamyl benzoate | FL/FR |
| bready |
| | coffee furanone | FL/FR |
| | furfural | FL/FR |
| buttery |
| | acetoin | FL/FR |
| | acetoin dimer | FL/FR |
| | acetoin propylene glycol acetal | FL/FR |
| | acetyl butyryl | FL/FR |
| | acetyl isobutyryl | FL/FR |
| | acetyl propionyl | FL/FR |
| | butter oil CO2 extract | FL/FR |
| | butyl butyryl lactate | FL/FR |
| iso | butyl lactate | FL/FR |
| | butyl octanoate | FL/FR |
| 2,3- | heptane dione | FL/FR |
| caramellic |
| | cyclotene | FL/FR |
| alpha,alpha- | dimethyl anisyl acetone | FL/FR |
| | ethyl 2-hydroxy-2-methyl butyrate | FL/FR |
| cheesy |
| | butyric acid | FL/FR |
| 2- | methyl valeric acid | FL/FR |
| coconut |
| | coconut naphthalenone | FL/FR |
| delta- | decalactone | FL/FR |
| gamma- | heptalactone | FL/FR |
| gamma- | nonalactone (aldehyde C-18 (so-called)) | FL/FR |
| delta- | undecalactone | FL/FR |
| corn chip |
| | popcorn pyrimidine | FL/FR |
| coumarinic |
| epsilon- | decalactone | FL/FR |
| | tonka bean resinoid | FR |
| | waxy lactone | FL/FR |
| fatty |
| | butter esters | FL/FR |
| | butyl undecylenate | FL/FR |
| fermented |
| | butyl laevo-lactate | FL/FR |
| floral |
| | benzyl lactate | FL/FR |
| | jasmin pyranone | FL/FR |
| | linalyl butyrate | FL/FR |
| fruity |
| | acetoin acetate | FL/FR |
| gamma- | decalactone | FL/FR |
| | ethyl lactate | FL/FR |
| 2- | nonanone | FL/FR |
| | prenyl isobutyrate | FL/FR |
| | sorbyl butyrate | FL/FR |
| | tetrahydrofurfuryl acetate | FL/FR |
| green |
| (Z)-4- | heptenal | FL/FR |
| (Z)-3- | hexen-1-yl butyrate | FL/FR |
| (E,Z)-2,6- | nonadienal | FL/FR |
| mushroom |
| 1- | octen-3-yl butyrate | FL/FR |
| musty |
| 3- | acetyl-2,5-dimethyl furan | FL/FR |
| nutty |
| 2- | acetyl-3-methyl pyrazine | FL/FR |
| 3,5- | cocoa pyrazine | FL/FR |
| 2- | ethyl pyrazine | FL/FR |
| 5- | methyl quinoxaline | FL/FR |
| 2- | methyl-3-(methyl thio) pyrazine | FL/FR |
| | nutty cyclohexenone | FL/FR |
| oily |
| | butter acids | FL/FR |
| soapy |
| | ethyl undecanoate | FL/FR |
| tonka |
| | tonka bean absolute | FR |
| | whiskey lactone | FL/FR |
| tropical |
| delta- | dodecalactone | FL/FR |
| | glyceryl 5-hydroxydecanoate | FL/FR |
| | glyceryl 5-hydroxydodecanoate | FL/FR |
| waxy |
| 2- | methyl heptanoic acid | FL/FR |
| delta- | tetradecalactone | FL/FR |
| woody |
| 4- | hydroxybenzaldehyde | FL/FR |
| |
| For Flavor |
| |
| No flavor group found for these |
| | benzyl lactate | FL/FR |
| | butter nut rum flavor | FL |
| | butyl octanoate | FL/FR |
| | cinnamyl benzoate | FL/FR |
| | coconut naphthalenone | FL/FR |
| 6- | decenoic acid | FL |
| alpha,alpha- | dimethyl anisyl acetone | FL/FR |
| | ethyl 2-hydroxy-2-methyl butyrate | FL/FR |
| (E,E)-2,4- | heptadien-1-ol | FL |
| 2,4- | heptadien-1-ol | FL |
| 3-( | methyl thio) hexanal | FL |
| 2- | methyl-3-(methyl thio) pyrazine | FL/FR |
| | prenyl isobutyrate | FL/FR |
| | sodium 4-methyl-2-oxovalerate | FL |
| acidic |
| iso | butyric acid | FL/FR |
| aldehydic |
| | acetyl nonyryl | FL/FR |
| alliaceous |
| 3- | tetrahydrothiophenone | FL |
| bitter |
| | glyceryl tributyrate | FL |
| brown |
| | furfural | FL/FR |
| | tetrahydrofurfuryl acetate | FL/FR |
| burnt |
| 2- | methyl quinoxaline | FL |
| buttery |
| | acetoin propylene glycol acetal | FL/FR |
| | bovolide | FL |
| | butter cream frosting flavor | FL |
| | butter enhancers | FL |
| creamy | butter flavor | FL |
| | butter flavor | FL |
| sweet | butter flavor | FL |
| | butter maple flavor | FL |
| | butter nut vanilla flavor | FL |
| | butter oil CO2 extract | FL/FR |
| | butter pecan flavor | FL |
| | butter praline flavor | FL |
| | butter starter distillates | FL/FR |
| | butter toffee flavor | FL |
| | butter vanilla nut flavor | FL |
| iso | butyl lactate | FL/FR |
| | butyl laevo-lactate | FL/FR |
| | butyroin | FL |
| | diacetyl | FL |
| | ghee flavor | FL |
| 2,3- | heptane dione | FL/FR |
| 2- | methyl valeric acid | FL/FR |
| (E)-2- | pentenoic acid | FL |
| caramellic |
| | butter rum toffee flavor | FL |
| | caramel nut cream flavor | FL |
| | caramel nut fudge flavor | FL |
| | cyclotene | FL/FR |
| | maple nut flavor | FL |
| 3- | methyl butyl 2-furyl butyrate | FL |
| cheesy |
| 2- | nonanone | FL/FR |
| chocolate |
| | chocolate butter cream flavor | FL |
| | chocolate caramel nut flavor | FL |
| citrus |
| | butter lemon orange flavor | FL |
| cocoa |
| 2- | methyl furan | FL |
| coconut |
| delta- | decalactone | FL/FR |
| gamma- | nonalactone (aldehyde C-18 (so-called)) | FL/FR |
| corn chip |
| | popcorn pyrimidine | FL/FR |
| creamy |
| | acetoin | FL/FR |
| | acetoin butyrate | FL |
| | acetyl butyryl | FL/FR |
| | acetyl ethyl carbinol | FL |
| | acetyl isobutyryl | FL/FR |
| | butter esters | FL/FR |
| | butter fat enzyme modified with added butyric acid | FL |
| | butyl butyryl lactate | FL/FR |
| 5,5- | dibutyl dihydrofuran-2(3H)-one | FL |
| | divanillin | FL |
| delta- | dodecalactone | FL/FR |
| | glyceryl 5-hydroxydecanoate | FL/FR |
| | glyceryl 5-hydroxydodecanoate | FL/FR |
| 4- | hydroxybenzaldehyde | FL/FR |
| | jasmin pyranone | FL/FR |
| delta- | undecalactone | FL/FR |
| | waxy lactone | FL/FR |
| dairy |
| | acetoin dimer | FL/FR |
| fatty |
| | butter acids | FL/FR |
| | diacetyl trimer | FL |
| (E,E)-2,4- | undecadienal | FL |
| floral |
| | linalyl butyrate | FL/FR |
| fruity |
| | acetoin acetate | FL/FR |
| | acetyl isovaleryl | FL |
| gamma- | decalactone | FL/FR |
| | ethyl lactate | FL/FR |
| 2,4- | hexadien-1-ol | FL |
| 2- | methyl butyric acid | FL/FR |
| | sorbyl butyrate | FL/FR |
| green |
| (Z)-4- | heptenal | FL/FR |
| (Z)-3- | hexen-1-yl butyrate | FL/FR |
| (E,Z)-2,6- | nonadienal | FL/FR |
| lactonic |
| gamma- | heptalactone | FL/FR |
| metallic |
| 2,5- | dihydroxy-1,4-dithiane | FL |
| mushroom |
| 1- | octen-3-yl butyrate | FL/FR |
| nutty |
| 3- | acetyl-2,5-dimethyl furan | FL/FR |
| 2- | acetyl-3-methyl pyrazine | FL/FR |
| | butter pecan cake flavor | FL |
| 3,5- | cocoa pyrazine | FL/FR |
| | coffee furanone | FL/FR |
| 2,5- | diethyl-3-methyl pyrazine | FL |
| 2- | ethyl pyrazine | FL/FR |
| 5- | methyl quinoxaline | FL/FR |
| | nutty cyclohexenone | FL/FR |
| | peanut brittle flavor | FL |
| | peanut oxazole | FL |
| sour |
| | butyric acid | FL/FR |
| spicy |
| spiced | butter rum flavor | FL |
| | cinnamon butter pecan flavor | FL |
| | cinnamon nut butter rum flavor | FL |
| sweet |
| | honey distillates | FL |
| | vanilla butter nut flavor | FL |
| toasted |
| | acetyl propionyl | FL/FR |
| waxy |
| | butyl undecylenate | FL/FR |
| epsilon- | decalactone | FL/FR |
| | ethyl undecanoate | FL/FR |
| 2- | methyl heptanoic acid | FL/FR |
| delta- | tetradecalactone | FL/FR |
| winey |
| 5- | ethyl-2-methyl pyridine | FL |
| woody |
| | whiskey lactone | FL/FR |
| |
Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
| | bipropionyl | | | diethyl diketone | | 3,4- | dioxohexane | | | dipropionyl | | | hexan-3,4-dione | | 3,4- | hexandione | | | hexane-3,4-dione | | 3, 4 | hexanedione | | 3,4- | hexanedione |
Articles:
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