Category: flavor and fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
Appearance: | colorless clear oily liquid (est) |
Assay: | 96.00 to 100.00 %
|
Food Chemicals Codex Listed: | No |
Specific Gravity: | 0.94000 to 0.94900 @ 25.00 °C.
|
Pounds per Gallon - (est).: | 7.822 to 7.897
|
Refractive Index: | 1.50000 to 1.51000 @ 20.00 °C.
|
Boiling Point: | 250.00 to 251.00 °C. @ 760.00 mm Hg
|
Vapor Pressure: | 0.020000 mmHg @ 25.00 °C. (est) |
Flash Point: | 221.00 °F. TCC ( 105.00 °C. )
|
logP (o/w): | 3.142 (est) |
Soluble in: |
| alcohol | | dipropylene glycol | | water, very slightly | | water, 202.2 mg/L @ 25 °C (est) |
Insoluble in: |
| water |
Organoleptic Properties:
Cosmetic Information:
Suppliers:
Safety Information:
Preferred SDS: View |
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Hazards identification |
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Classification of the substance or mixture |
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) |
None found. |
GHS Label elements, including precautionary statements |
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Pictogram | |
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Hazard statement(s) |
None found. |
Precautionary statement(s) |
None found. |
Oral/Parenteral Toxicity: |
Not determined
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Dermal Toxicity: |
Not determined
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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 spicy pentanone usage levels up to: | | 2.0000 % in the fragrance concentrate.
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Maximised Survey-derived Daily Intakes (MSDI-EU): | 8.50 (μg/capita/day) |
Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.30 (μg/capita/day) |
Threshold of Concern: | 540 (μg/person/day) |
Structure Class: | II |
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: 3 |
Click here to view publication 3 |
| average usual ppm | average maximum ppm |
baked goods: | - | 5.00000 |
beverages(nonalcoholic): | - | 1.00000 |
beverages(alcoholic): | - | - |
breakfast cereal: | - | - |
cheese: | - | - |
chewing gum: | - | - |
condiments / relishes: | - | - |
confectionery froastings: | - | - |
egg products: | - | - |
fats / oils: | - | - |
fish products: | - | - |
frozen dairy: | - | 5.00000 |
fruit ices: | - | 5.00000 |
gelatins / puddings: | - | - |
granulated sugar: | - | - |
gravies: | - | - |
hard candy: | 0.06000 | 5.00000 |
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:
Flavor & Extract Manufacturers Association (FEMA) reference(s): |
The FEMA GRAS assessment of aromatic substituted secondary alcohols, ketones, and related esters used as flavor ingredients. View pdf |
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 16 (FGE.16): Aromatic ketones from chemical group 21 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf |
Flavouring Group Evaluation 16, Revision 1 (FGE.16Rev1)[1]: Aromatic ketones from chemical group 21- Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf |
Flavouring Group Evaluation 69, (FGE.69)[1] - Consideration of aromatic substituted secondary alcohols, ketones and related esters evaluated by JECFA (57th meeting) structurally related to aromatic ketones from chemical group 21 evaluated by EFSA in FGE.16 (2006) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf |
Flavouring Group Evaluation 16, Revision 2 (FGE.16Rev2): Aromatic ketones from chemical group 21 View page or View pdf |
Scientific Opinion on Flavouring Group Evaluation 69, Revision 1 (FGE.69Rev1): consideration of aromatic substituted secondary alcohols, ketones and related esters evaluated by JECFA (57th meeting), structurally related to aromatic ketones from chemical group 21 evaluated by EFSA in FGE.16Rev2 View page or View pdf |
EPI System: | View |
AIDS Citations: | Search |
Cancer Citations: | Search |
Toxicology Citations: | Search |
EPA Substance Registry Services (TSCA): | 5349-62-2 |
EPA ACToR: | Toxicology Data |
EPA Substance Registry Services (SRS): | Registry |
Laboratory Chemical Safety Summary : | 219672 |
National Institute of Allergy and Infectious Diseases: | Data |
WGK Germany: | 3 |
| 4-methyl-1-phenylpentan-2-one |
Chemidplus: | 0005349622 |
References:
Other Information:
Potential Blenders and core components note
|
For Odor |
amber |
amber |
| amber carane | FR |
anisic |
| ethyl para-anisate | FL/FR |
3- | pentyl bicyclo[3.2.1]-6-octen-2-one | FR |
balsamic |
iso | bornyl propionate | FL/FR |
| butyl cinnamate | FL/FR |
| fir carboxylate | FR |
| frankincense absolute | FL/FR |
| guaiyl acetate | FL/FR |
| juniper berry oil CO2 extract | FL/FR |
| methyl cinnamate | FL/FR |
| opoponax absolute (balsamodendron kafal) | FL/FR |
| phenethyl cinnamate | FL/FR |
scotch | pine wood/needles resinoid | FR |
| quercus robur oil | FR |
| terpinyl cinnamate | FL/FR |
| tolu balsam oil | FL/FR |
| tolu balsam oil replacer | FR |
| tolu balsam replacer | FR |
berry |
| raspberry ketone methyl ether | FL/FR |
caramellic |
5- | ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one | FL/FR |
cheesy |
2- | heptanone | FL/FR |
coconut |
| tetrahydrojasmone | FR |
earthy |
| dibenzyl ether | FL/FR |
3- | octanol | FL/FR |
| orris specialty | FR |
| pinus sylvestris leaf absolute | FL/FR |
fatty |
| hexyl pivalate | FR |
floral |
alpha- | amyl cinnamyl acetate | FL/FR |
| anise indene | FR |
| benzaldehyde propylene glycol acetal | FL/FR |
| boronia absolute | FL/FR |
| boronia absolute replacer | FL/FR |
| boronia fragrance | FR |
| bursera graveolens wood oil | FL/FR |
iso | butyl salicylate | FL/FR |
| cardamom absolute | FL/FR |
| cassie absolute | FL/FR |
| cherry blossom fragrance | FR |
para- | cresyl acetate | FL/FR |
beta- | damascenone | FL/FR |
| dihydrojasmone | FL/FR |
2,4- | dimethyl cyclohexyl methyl acetate | FR |
iso | eugenyl ethyl acetal | FR |
pink | frangipani absolute | FR |
| heliotropyl diethyl acetal | FR |
2- | hexylidene cyclopentanone | FL/FR |
| ionone mixed isomers | FL/FR |
(Z)- | jasmone | FL/FR |
| linalyl propionate | FL/FR |
N- | methyl ionone | FR |
| mimosa absolute | FL/FR |
| mimosa absolute france | FL/FR |
| mimosa absolute india | FL/FR |
1-( | octahydro-4,7-methanoinden-5-yl)-propan-2-one + 1-(6-methyloctahydro-4,7-methanoinden-5-yl)-ethanone | |
| orris fragrance | FR |
| rhodinyl isobutyrate | FL/FR |
| rosa damascena flower oil | FL/FR |
| rose carboxylate | FR |
| rose oil (rosa damascena) bulgaria | FL/FR |
| rose oil (rosa damascena) turkey | FL/FR |
| souroubea specialty | FR |
| tuberose absolute (from concrete) | FL/FR |
| tuberose absolute (from pommade) | FL/FR |
| ylang ylang flower absolute | FL/FR |
| ylang ylang flower oil III | FL/FR |
| jasmin absolute (jasminum flexile) | FR |
fruity |
para- | anisyl methyl ketone | FL/FR |
| apple cider fragrance | FR |
baked | apple fragrance | FR |
candy | apple fragrance | FR |
| brandy extract | FL/FR |
| buchu wood specialty | FL/FR |
| cinnamyl isobutyrate | FL/FR |
1,4- | diethyl-6,8-dioxabicyclo(3.2.1)octane | FR |
1-(3,3- | dimethyl bicyclo(2.2.1)hept-2-yl)-2-methyl cyclohex-3-ene carbaldehyde | FR |
1,4- | dimethyl bicyclo(3.2.1)oct-3-yl acetate | FR |
1,2- | dimethyl butyl 2-butenoate | FR |
| ethyl isovalerate | FL/FR |
trans-1- | ethyl-2-methyl propyl 2-butenoate | FL/FR |
1- | ethyl-2-methyl propyl chrysanthemumate | |
1- | ethyl-2-methyl propyl tiglate | |
| geranyl acetoacetate | FL/FR |
| green acetate | FR |
| heptyl isovalerate | FL/FR |
(Z)-3- | hexen-1-yl isobutyrate | FL/FR |
alpha- | ionyl ethyl ether | |
| methyl (Z)-5-octenoate | FL/FR |
| myrtle oil replacer | FR |
| octyl propionate | FL/FR |
2- | pentanone | FL/FR |
| perillyl acetate | FL/FR |
| pineapple hydroxyhexanoate | FL/FR |
| strawberry furanone butyrate | FL/FR |
1,3,3,5- | tetramethyl-7 and 8-acetyl bicyclo(2.2.2)oct-5-ene | |
1,3,3,5- | tetramethyl-7 and 8-cyanobicyclo(2.2.2)octane | |
| xanthoxylum fruit oil | FR |
(Z)-3- | hexen-1-yl benzoate | FL/FR |
| octanal diethyl acetal | FL/FR |
(E)-2- | pentenal | FL/FR |
| thuja occidentalis leaf absolute | FR |
herbal |
| anthemis nobilis flower oil roman | FL/FR |
| bornyl 2-methyl butyrate | FL/FR |
| bornyl butyrate | FL/FR |
| bursera graveolens wood | |
| canarium luzonicum oil | FL/FR |
wild | carrot seed oil CO2 extract | FL/FR |
| clary sage absolute | FL/FR |
| dimethyl benzyl carbinyl crotonate | FL/FR |
| herbal specialty | FR |
| herbal undecanone | FR |
| lavender absolute bulgaria | FL/FR |
| methyl cyclogeranate (Firmenich) | FR |
| myrtle oil | FL/FR |
| myrtle oil morocco | FL/FR |
curled | parsley seed oil | FL/FR |
beta-sesqui | phellandrene | |
common | tansy flower oil | FR |
common | tansy flower oil dutch | FR |
| theaspirane | FL/FR |
| tricyclodecenyl propionate | FR |
honey |
| methyl phenyl acetate | FL/FR |
phenolic |
4- | methyl-2,6-dimethoxyphenol | FL/FR |
spicy |
| allspice berry absolute | FL/FR |
alpha- | amyl cinnamyl alcohol | FL/FR |
| amyl isoeugenol | FR |
homo | anisaldehyde | FL/FR |
para- | anisyl formate | FL/FR |
| apple cinnamon fragrance | FR |
| atractylis root oil | FR |
| bubble gum fragrance | FR |
| cadinadiene | |
| cananga leaf oil | FR |
| carvacrol | FL/FR |
beta- | caryophyllene | FL/FR |
| caryophyllene | FL/FR |
alpha- | caryophyllene alcohol | FL/FR |
| cinnamon bark oil (cinnamomum zeylanicum) india | FL/FR |
| cinnamon bark oil ceylon | FL/FR |
| cinnamon bun fragrance | FR |
| cinnamon leaf oil ceylon | FL/FR |
| cinnamon oleoresin ceylon | FL/FR |
(E)- | cinnamyl acetate | FL/FR |
| cinnamyl acetate | FL/FR |
| clove bud absolute | FL/FR |
| clove bud oil | FL/FR |
| clove bud oil replacer | FR |
| clove fragrance | FR |
| croton eluteria bark oil | FL/FR |
iso | cyclogeraniol (IFF) | FR |
N,N- | diethyl octanamide | FR |
2,5- | dimethyl bicyclo(3.2.1)-2-octen-3-yl acetate + 1,4-dimethyl bicyclo(3.2.1)-2-octen-3-yl acetate | FR |
iso | eugenyl acetate | FL/FR |
| eugenyl isovalerate | FL/FR |
| galangal root oil | FL/FR |
| ginger oleoresin africa | FL/FR |
| ginger root oil brazil | FL/FR |
| ginger root oil china | FL/FR |
| grains of paradise oil | FL/FR |
| green oxane | FR |
| mace oil | FL/FR |
(E)-para- | methoxycinnamaldehyde | FL/FR |
| methyl heptadienone | FL/FR |
| pepper tree berry oil CO2 extract | FL/FR |
| pimenta acris leaf oil | FL/FR |
(E)- | propyl 2-furan acrylate | FL/FR |
| spicy carbonate | FR |
(E)- | tiglic acid | FL/FR |
| turmeric root absolute | FL/FR |
terpenic |
para- | cymene | FL/FR |
| pine needle oil dwarf | FL/FR |
thujonic |
common | tansy leaf oil dutch | FR |
common | tansy oil canada | FR |
vanilla |
| vanillin propylene glycol acetal | FL/FR |
waxy |
| orris rhizome oil CO2 extract | FL/FR |
woody |
iso | caryophyllene | CS |
| caryophyllene alcohol acetate | FR |
beta- | caryophyllene alcohol acetate | FL/FR |
beta- | caryophyllene oxide | FL/FR |
atlas | cedarwood oil | FR |
alpha- | copaene | |
| dacrydium franklinii wood oil | FR |
| frankincense resinoid | FL/FR |
(E)- | germacrene D | FL/FR |
| guaiacwood oil | FL/FR |
| juniper berry oleoresin | FL/FR |
| kaempferia galanga rhizome oil | FL/FR |
| melozol acetate | FR |
gamma- | muurolene | |
| myrtenyl isobutyrate | |
| patchouli absolute | FR |
2-N- | propoxy-3(5)-methyl pyrazine | |
| rhubarb oxirane | FR |
| symroxane (Symrise) | FR |
1-(5',5',6'- | trimethyl bicyclo(2.2.1)hept-2'-ylidene) propan-2-one | FR |
| vetiver oil fractions | FR |
| zedoary bark oil | FL/FR |
|
For Flavor |
|
No flavor group found for these |
homo | anisaldehyde | FL/FR |
| benzyl methyl tiglate | FL |
| bornyl 2-methyl butyrate | FL/FR |
| bornyl butyrate | FL/FR |
| boronia absolute replacer | FL/FR |
| buchu wood specialty | FL/FR |
| bursera graveolens wood | |
| bursera graveolens wood oil | FL/FR |
| butyl cinnamate | FL/FR |
| cadinadiene | |
alpha- | caryophyllene alcohol | FL/FR |
beta- | caryophyllene alcohol acetate | FL/FR |
(E)- | cinnamyl acetate | FL/FR |
alpha- | copaene | |
| dimethyl benzyl carbinyl crotonate | FL/FR |
O- | ethyl S-(2-furyl methyl) thiocarbonate | FL |
trans-1- | ethyl-2-methyl propyl 2-butenoate | FL/FR |
1- | ethyl-2-methyl propyl chrysanthemumate | |
1- | ethyl-2-methyl propyl tiglate | |
5- | ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one | FL/FR |
| eugenyl isovalerate | FL/FR |
(E)- | germacrene D | FL/FR |
| grains of paradise oil | FL/FR |
| guaiyl acetate | FL/FR |
| heptyl isovalerate | FL/FR |
2- | hexylidene cyclopentanone | FL/FR |
| ionone mixed isomers | FL/FR |
alpha- | ionyl ethyl ether | |
(E)-para- | methoxycinnamaldehyde | FL/FR |
(±)-3-((2- | methyl-3-furyl)thio)-2-butanone | FL |
gamma- | muurolene | |
| myrtenyl isobutyrate | |
| myrtle oil morocco | FL/FR |
1-( | octahydro-4,7-methanoinden-5-yl)-propan-2-one + 1-(6-methyloctahydro-4,7-methanoinden-5-yl)-ethanone | |
beta-sesqui | phellandrene | |
| pinus sylvestris leaf absolute | FL/FR |
2-N- | propoxy-3(5)-methyl pyrazine | |
1,3,3,5- | tetramethyl-7 and 8-acetyl bicyclo(2.2.2)oct-5-ene | |
1,3,3,5- | tetramethyl-7 and 8-cyanobicyclo(2.2.2)octane | |
|
| hexyl 3-mercaptobutanoate | FL |
anise |
| ethyl para-anisate | FL/FR |
aromatic |
para- | cresyl acetate | FL/FR |
balsamic |
iso | bornyl propionate | FL/FR |
| juniper berry oil CO2 extract | FL/FR |
| opoponax absolute (balsamodendron kafal) | FL/FR |
| phenethyl cinnamate | FL/FR |
| tolu balsam oil | FL/FR |
berry |
| raspberry ketone methyl ether | FL/FR |
brown |
(E)- | tiglic acid | FL/FR |
bubble gum |
| bubble gum flavor | FL |
| kaempferia galanga rhizome oil | FL/FR |
candy |
candied | apple flavor | FL |
caramellic |
5- | ethyl-3,4,5,6-tetramethyl cyclohexen-2-one | FL |
cheesy |
2- | heptanone | FL/FR |
cooling |
iso | butyl salicylate | FL/FR |
| theaspirane | FL/FR |
creamy |
2,4- | heptadienal | FL |
dairy |
| methyl (Z)-5-octenoate | FL/FR |
earthy |
alpha- | amyl cinnamyl acetate | FL/FR |
estery |
| octyl propionate | FL/FR |
fatty |
(Z)-3- | hexen-1-yl benzoate | FL/FR |
2,4- | undecadienal | FL |
floral |
| cardamom absolute | FL/FR |
| dihydrojasmone | FL/FR |
| methyl phenyl acetate | FL/FR |
| mimosa flavor | FL |
| rhodinyl isobutyrate | FL/FR |
| rosa damascena flower oil | FL/FR |
| rose oil (rosa damascena) bulgaria | FL/FR |
| rose oil (rosa damascena) turkey | FL/FR |
| tuberose absolute (from concrete) | FL/FR |
| tuberose absolute (from pommade) | FL/FR |
| ylang ylang flower absolute | FL/FR |
| ylang ylang flower oil III | FL/FR |
fruity |
| apple cider flavor | FL |
| apple cobbler flavor | FL |
baked | apple flavor | FL |
| apple ginger flavor | FL |
| benzaldehyde propylene glycol acetal | FL/FR |
| boronia absolute | FL/FR |
| brandy extract | FL/FR |
| cinnamyl isobutyrate | FL/FR |
| dibenzyl ether | FL/FR |
| ethyl isovalerate | FL/FR |
(Z)-3- | hexen-1-yl isobutyrate | FL/FR |
2- | pentanone | FL/FR |
| pineapple hydroxyhexanoate | FL/FR |
(E)- | propyl 2-furan acrylate | FL/FR |
| strawberry furanone butyrate | FL/FR |
| terpinyl cinnamate | FL/FR |
green |
| canarium luzonicum oil | FL/FR |
(E,E)-2,4- | hexadienal | FL |
| methyl heptadienone | FL/FR |
| octanal diethyl acetal | FL/FR |
(E)-2- | pentenal | FL/FR |
| perillyl acetate | FL/FR |
herbal |
| anthemis nobilis flower oil roman | FL/FR |
wild | carrot seed oil CO2 extract | FL/FR |
| clary sage absolute | FL/FR |
| lavender absolute bulgaria | FL/FR |
| linalyl propionate | FL/FR |
curled | parsley seed oil | FL/FR |
medicinal |
| frankincense absolute | FL/FR |
musty |
| geranyl acetoacetate | FL/FR |
3- | octanol | FL/FR |
phenolic |
4- | methyl-2,6-dimethoxyphenol | FL/FR |
pine |
| pine needle oil dwarf | FL/FR |
solvent |
| methyl phenyl sulfide | FL |
spicy |
| allspice berry absolute | FL/FR |
alpha- | amyl cinnamyl alcohol | FL/FR |
para- | anisyl formate | FL/FR |
para- | anisyl methyl ketone | FL/FR |
| apple cinnamon flavor | FL |
baked spice | apple flavor | FL |
| carvacrol | FL/FR |
beta- | caryophyllene | FL/FR |
| caryophyllene | FL/FR |
| cassie absolute | FL/FR |
| cinnamon bark oil (cinnamomum zeylanicum) india | FL/FR |
| cinnamon bark oil ceylon | FL/FR |
| cinnamon leaf oil ceylon | FL/FR |
| cinnamon oleoresin ceylon | FL/FR |
| cinnamyl acetate | FL/FR |
| clove bud absolute | FL/FR |
| clove bud oil | FL/FR |
| croton eluteria bark oil | FL/FR |
iso | eugenyl acetate | FL/FR |
| galangal root oil | FL/FR |
| ginger oleoresin africa | FL/FR |
| ginger root oil brazil | FL/FR |
| ginger root oil china | FL/FR |
| mace oil | FL/FR |
4- | methyl biphenyl | FL |
| methyl cinnamate | FL/FR |
| myrtle oil | FL/FR |
| pepper tree berry oil CO2 extract | FL/FR |
| pimenta acris leaf oil | FL/FR |
| turmeric oleoresin | FL |
| turmeric root absolute | FL/FR |
tea |
red rooibos | tea leaf distillates | FL |
terpenic |
para- | cymene | FL/FR |
vanilla |
| vanillin propylene glycol acetal | FL/FR |
waxy |
| mimosa absolute | FL/FR |
| mimosa absolute france | FL/FR |
| mimosa absolute india | FL/FR |
woody |
beta- | caryophyllene oxide | FL/FR |
beta- | damascenone | FL/FR |
| frankincense resinoid | FL/FR |
| guaiacwood oil | FL/FR |
(Z)- | jasmone | FL/FR |
| juniper berry oleoresin | FL/FR |
| orris rhizome oil CO2 extract | FL/FR |
| zedoary bark oil | FL/FR |
|
Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
| benzyl 2-methylpropyl ketone | | benzyl isobutyl ketone | iso | butyl benzyl ketone | 4- | methyl-1-phenyl pentan-2-one | 4- | methyl-1-phenyl-2-pentanone | 4- | methyl-1-phenylpentan-2-one | 2- | pentanone, 4-methyl-1-phenyl- |
Articles:
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