2-methyl-3-heptanone
2-methylheptan-3-one
 
Notes:
Used as a food additive [EAFUS]
  • BOC Sciences
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      Product(s):
      13019-20-0 2-Methyl-3-heptanone
       
  • Penta International
    • Penta International Corporation
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      For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes.
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      Product(s):
      13-49130 2-METHYL-3-HEPTANONE
       
  • TCI AMERICA
    • TCI AMERICA
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      Product(s):
      M0693 2-Methyl-3-heptanone >95.0%(GC)
       
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CAS Number: 13019-20-0Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 235-877-0
FDA UNII: CH4JHS76WY
Nikkaji Web: J133.675D
MDL: MFCD00009481
XlogP3-AA: 2.40 (est)
Molecular Weight: 128.21472000
Formula: C8 H16 O
NMR Predictor: Predict (works with chrome or firefox)
Category: flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
Google Books: Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist: Search
Google Patents: Search
US Patents: Search
EU Patents: Search
Pubchem Patents: Search
PubMed: Search
NCBI: Search
JECFA Food Flavoring: 1156  2-methylheptan-3-one
FLAVIS Number: 07.240 (Old)
DG SANTE Food Flavourings: 07.240  2-methylheptan-3-one
FEMA Number: 4000  2-methylheptan-3-one
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):13019-20-0 ; 2-METHYL-3-HEPTANONE
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Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 98.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.81100 to 0.82100 @  25.00 °C.
Pounds per Gallon - (est).: 6.748 to  6.832
Refractive Index: 1.40800 to 1.41300 @  20.00 °C.
Boiling Point: 158.00 to  160.00 °C. @ 760.00 mm Hg
Vapor Pressure: 2.526000 mmHg @ 25.00 °C. (est)
Flash Point: 110.00 °F. TCC ( 43.33 °C. )
logP (o/w): 2.350 (est)
Soluble in:
 alcohol
 fats
 water, 1371 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: fruity
 
Odor Strength: medium
 
 fruity  green  leafy  
Odor Description:
at 100.00 %. 
fruity green leafy
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
BOC Sciences
For experimental / research use only.
2-Methyl-3-heptanone
Parchem
2-methyl-3-heptanone
Penta International
2-METHYL-3-HEPTANONE
Santa Cruz Biotechnology
For experimental / research use only.
2-methyl-3-heptanone
Sigma-Aldrich: Aldrich
For experimental / research use only.
2-Methyl-3-heptanone 99%
TCI AMERICA
For experimental / research use only.
2-Methyl-3-heptanone >95.0%(GC)
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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 37/39 - Wear suitable gloves and eye/face protection.
 
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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: flavoring agents
Recommendation for 2-methyl-3-heptanone usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 3.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 3.00 (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: 20
Click here to view publication 20
 average usual ppmaverage maximum ppm
baked goods: 12.0000025.00000
beverages(nonalcoholic): 7.0000015.00000
beverages(alcoholic): 5.0000010.00000
breakfast cereal: --
cheese: --
chewing gum: 25.0000040.00000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 10.0000020.00000
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 12.0000024.00000
imitation dairy: 8.0000016.00000
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: --
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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 7 (FGE.07): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf
Flavouring Group Evaluation 63 (FGE.63): Consideration of aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th meeting) structurally related to saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids evaluated by EFSA in FGE.07 (2005) (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf
Flavouring Group Evaluation 7, Revision 2 (FGE.07Rev2) : Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 63, Revision 1 (FGE.63Rev1): Consideration of aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th and 69th meetings) structurally related to saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids evaluated by EFSA in FGE.07Rev4 (2012)
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 63, Revision 2 (FGE.63Rev2): Consideration of aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th and 69th meetings) structurally related to saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids evaluated by EFSA in FGE.07Rev4
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 63, Revision 3 (FGE.63Rev3): aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th and 69th meetings) structurally related to saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids evaluated by EFSA in FGE.07Rev4
View page or View pdf
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 25611
National Institute of Allergy and Infectious Diseases: Data
WISER: UN 1224
WGK Germany: 3
 2-methylheptan-3-one
Chemidplus: 0013019200
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References:
 2-methylheptan-3-one
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 25611
Pubchem (sid): 134989588
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Other Information:
(IUPAC): Atomic Weights of the Elements 2009
(IUPAC): Atomic Weights of the Elements 2009 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS): View
HMDB (The Human Metabolome Database): HMDB32402
FooDB: FDB009837
Export Tariff Code: 2914.19.0000
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
animal
animal
 methyl (E)-2-octenoateFL/FR
balsamic
isoamyl benzoateFL/FR
citrus
2-heptanolFL/FR
 cyclohexyl formateFL/FR
fatty
3-decen-2-oneFL/FR
 methyl (E)-2-hexenoateFL/FR
 methyl 2-hexenoateFL/FR
floral
 allyl anthranilateFL/FR
 boronia absoluteFL/FR
 dihydrocarvyl acetateFL/FR
(±)-2,3-dihydrofarnesolFL/FR
(E)-geranyl acetoneFL/FR
 geranyl formateFL/FR
 geranyl isobutyrateFL/FR
 hexyl lactateFL/FR
 hexyl nonanoateFL/FR
(Z)-jasmoneFL/FR
para-methyl benzyl acetateFL/FR
 papaya isobutyrateFL/FR
fruity
 allyl butyrateFL/FR
isoamyl butyrateFL/FR
isobutyl octanoateFL/FR
isobutyl propionateFL/FR
 cherry pentenoateFL/FR
 cinnamyl hexanoateFL/FR
2-cyclopentyl cyclopentanoneFL/FR
 diethyl malonateFL/FR
 dimethyl succinateFL/FR
 ethyl (E)-3-hexenoateFL/FR
 ethyl 2-hexenoateFL/FR
 ethyl 2-octenoateFL/FR
 ethyl acetoacetateFL/FR
 ethyl bicyclo(2.2.1)-5-heptene-2-carboxylateFL/FR
 ethyl levulinateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
(E,E)-ethyl sorbateFL/FR
 geranyl ethyl etherFL/FR
 geranyl isovalerateFL/FR
2-heptyl butyrateFL/FR
 heptyl isobutyrateFL/FR
2-hexen-1-olFL/FR
(E)-2-hexen-1-olFL/FR
(E)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl anthranilateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
 hexyl (E)-tiglateFL/FR
 hexyl acetateFL/FR
 hexyl isovalerateFL/FR
 hexyl propionateFL/FR
 hexyl valerateFL/FR
 methyl heptanoateFL/FR
 methyl octadienoateFL/FR
 methyl valerateFL/FR
3-methyl-2-butenalFL/FR
 octen-1-yl cyclopentanoneFL/FR
 octyl butyrateFL/FR
2-pentyl furanFL/FR
3-phenyl propyl hexanoateFL/FR
4-phenyl-2-butyl acetateFL/FR
 pineapple pentenoateFL/FR
 prenyl hexanoateFL/FR
 sorbyl butyrateFL/FR
(E,E)-sorbyl butyrateFL/FR
 tetrahydrofurfuryl butyrateFL/FR
 tropical thiazoleFL/FR
 tropical trithianeFL/FR
green
 acetaldehyde benzyl 2-methoxyethyl acetalFL/FR
 acetaldehyde butyl phenethyl acetalFL/FR
 acetaldehyde di-(Z)-3-hexen-1-yl acetalFL/FR
 acetaldehyde dipropyl acetalFL/FR
 acetaldehyde ethyl phenethyl acetalFL/FR
 actinidia chinensis fruit extractFL/FR
black currant bud absolute replacerFL/FR
alpha-decalactoneFL/FR
 ethyl (E)-2-hexenoateFL/FR
 ethyl (E)-4-decenoateFL/FR
 green note propionateFL/FR
1-heptanolFL/FR
 heptyl cinnamateFL/FR
(Z)-2-hexen-1-olFL/FR
(Z)-3-hexen-1-yl (E)-2-hexenoateFL/FR
(Z)-3-hexen-1-yl (E)-crotonateFL/FR
(Z)-3-hexen-1-yl 2-methyl butyrateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl benzoateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
(Z)-3-hexen-1-yl lactateFL/FR
(Z)-3-hexen-1-yl methyl carbonateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
(Z)-3-hexen-1-yl valerateFL/FR
3-hexenalFL/FR
(E)-2-hexenal propylene glycol acetalFL/FR
3-hexenyl acetateFL/FR
 hexyl heptanoateFL/FR
 hexyl isobutyrateFL/FR
 hexyl octanoateFL/FR
 manzanate (Givaudan)FL/FR
 methyl (E)-3-hexenoateFL/FR
 methyl heptine carbonateFL/FR
(E,Z)-2,6-nonadien-1-yl acetateFL/FR
(Z)-5-octen-1-yl propionateFL/FR
(E)-2-pentenalFL/FR
3-phenyl propionaldehydeFL/FR
 propylene acetalFL/FR
 rose leaf absolute (rosa centifolia)FL/FR
(E,E)-sorbyl isobutyrateFL/FR
 sorbyl isobutyrateFL/FR
 styralyl acetateFL/FR
 thiogeraniolFL/FR
 violet leaf oil (viola odorata)FL/FR
herbal
sweet basil absoluteFL/FR
 lovage tinctureFL/FR
(1S,5R)-myrtenyl acetateFL/FR
2-pentyl acetateFL/FR
 tagete oil indiaFL/FR
 viridiflorolFL/FR
minty
 carvyl acetateFL/FR
isopulegyl formateFL/FR
spicy
 cinnamyl propionateFL/FR
sulfurous
4-methyl 4-mercaptopentan-2-one 1% solutionFL/FR
3-(methyl thio) hexanolFL/FR
 methyl butyl phenyl acetateFL/FR
(E)-methyl geranateFL/FR
 octyl 2-methyl butyrateFL/FR
winey
 methyl 3-acetoxyoctanoateFL/FR
 
For Flavor
 
No flavor group found for these
 acetaldehyde benzyl 2-methoxyethyl acetalFL/FR
 acetaldehyde di-(Z)-3-hexen-1-yl acetalFL/FR
 actinidia chinensis fruit juiceFL
 allyl anthranilateFL/FR
 allyl levulinateFL
 allyl tiglateFL
isobutyl octanoateFL/FR
 cinnamyl hexanoateFL/FR
2-cyclopentyl cyclopentanoneFL/FR
alpha-decalactoneFL/FR
2,5-diethyl-4-propyl thiazoleFL
(±)-2,3-dihydrofarnesolFL/FR
 ethyl 2-(methyl thio) acetateFL
 ethyl 2-hexenoateFL/FR
 ethyl bicyclo(2.2.1)-5-heptene-2-carboxylateFL/FR
 geranyl ethyl etherFL/FR
2-heptyl butyrateFL/FR
 heptyl cinnamateFL/FR
(Z)-3-hexen-1-yl (E)-crotonateFL/FR
2-hexenalFL
(E)-3-hexenalFL
2-hexenal diethyl acetalFL
(E)-2-hexenal propylene glycol acetalFL/FR
3-hexenyl acetateFL/FR
 hexyl (E)-2-hexenoateFL
 hexyl heptanoateFL/FR
 hexyl nonanoateFL/FR
 hexyl propionateFL/FR
 hexyl valerateFL/FR
 methyl (E)-2-hexenoateFL/FR
 methyl 2-hexenoateFL/FR
 methyl 3-acetoxyoctanoateFL/FR
 methyl 3-hydroxybutyrateFL
4-methyl 4-mercaptopentan-2-one 1% solutionFL/FR
(E)-methyl geranateFL/FR
 methyl octadienoateFL/FR
3-methyl-3-pentanolFL
(E,E)-3,5-octadien-2-oneFL
1,5-octadien-3-olFL
3-octyl butyrateFL
4-phenyl-2-butyl acetateFL/FR
 prenyl hexanoateFL/FR
 propylene acetalFL/FR
isopulegyl formateFL/FR
(E,E)-sorbyl butyrateFL/FR
(E,E)-sorbyl isobutyrateFL/FR
 viridiflorolFL/FR
 sorbyl isobutyrateFL/FR
alliaceous
 tropical thiazoleFL/FR
berry
 heptyl isobutyrateFL/FR
cooling
 manzanate (Givaudan)FL/FR
creamy
2,4-heptadienalFL
dairy
2-pentyl acetateFL/FR
earthy
1-hexen-3-yl acetateFL
estery
 ethyl acetoacetateFL/FR
fatty
 ethyl (E)-4-decenoateFL/FR
(Z)-3-hexen-1-yl benzoateFL/FR
floral
 cinnamyl propionateFL/FR
 dihydrocarvyl acetateFL/FR
(E)-geranyl acetoneFL/FR
 geranyl isobutyrateFL/FR
(Z)-3-hexen-1-yl anthranilateFL/FR
fruity
isoamyl benzoateFL/FR
 boronia absoluteFL/FR
isobutyl propionateFL/FR
 cherry pentenoateFL/FR
black currant bud absolute replacerFL/FR
 diethyl malonateFL/FR
 dimethyl succinateFL/FR
 ethyl (E)-2-hexenoateFL/FR
 ethyl (E)-3-hexenoateFL/FR
 ethyl 2-octenoateFL/FR
 ethyl levulinateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
(E,E)-ethyl sorbateFL/FR
2-heptanolFL/FR
2-hexen-1-olFL/FR
(Z)-3-hexen-1-yl (E)-2-hexenoateFL/FR
(E)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
 hexyl acetateFL/FR
 hexyl lactateFL/FR
 kiwi distillatesFL
 methyl (E)-2-octenoateFL/FR
para-methyl benzyl acetateFL/FR
 methyl heptanoateFL/FR
 methyl valerateFL/FR
3-methyl-2-butenalFL/FR
(Z)-3-nonen-1-yl acetateFL
(Z)-5-octen-1-yl acetateFL
 octen-1-yl cyclopentanoneFL/FR
3-phenyl propyl hexanoateFL/FR
 pineapple pentenoateFL/FR
 sorbyl butyrateFL/FR
 styralyl acetateFL/FR
 tetrahydrofurfuryl butyrateFL/FR
 tropical trithianeFL/FR
green
 acetaldehyde butyl phenethyl acetalFL/FR
 acetaldehyde dipropyl acetalFL/FR
 acetaldehyde ethyl phenethyl acetalFL/FR
 actinidia chinensis fruit extractFL/FR
 allyl butyrateFL/FR
 cyclohexyl formateFL/FR
3-decen-2-oneFL/FR
 geranyl formateFL/FR
 geranyl isovalerateFL/FR
 green note propionateFL/FR
(E,E)-2,4-hexadienalFL
(Z)-2-hexen-1-olFL/FR
(E)-2-hexen-1-olFL/FR
(Z)-3-hexen-1-yl 2-methyl butyrateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
(Z)-3-hexen-1-yl lactateFL/FR
(Z)-3-hexen-1-yl methyl carbonateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
(Z)-3-hexen-1-yl valerateFL/FR
3-hexenalFL/FR
 hexyl (E)-tiglateFL/FR
 hexyl isobutyrateFL/FR
 hexyl isovalerateFL/FR
 hexyl octanoateFL/FR
 methyl (E)-3-hexenoateFL/FR
 methyl 2-undecynoateFL
 methyl heptine carbonateFL/FR
(E,Z)-2,6-nonadien-1-yl acetateFL/FR
(Z)-5-octen-1-yl propionateFL/FR
 papaya isobutyrateFL/FR
(E)-2-pentenalFL/FR
2-pentyl furanFL/FR
3-phenyl propionaldehydeFL/FR
 rose leaf absolute (rosa centifolia)FL/FR
 violet leaf oil (viola odorata)FL/FR
herbal
sweet basil absoluteFL/FR
 lovage tinctureFL/FR
 tagete oil indiaFL/FR
leafy
 methyl butyl phenyl acetateFL/FR
metallic
3-(methyl thio) hexanolFL/FR
minty
 carvyl acetateFL/FR
 thiogeraniolFL/FR
pungent
 acetaldehydeFL
solvent
1-heptanolFL/FR
sour
3-methyl valeric acidFL
waxy
isoamyl butyrateFL/FR
 octyl 2-methyl butyrateFL/FR
 octyl butyrateFL/FR
woody
(Z)-jasmoneFL/FR
(1S,5R)-myrtenyl acetateFL/FR
 
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Potential Uses:
 appleFL
 bananaFL
 fruit tropical fruitFL
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Occurrence (nature, food, other): note
 chicken cooked chicken
Search  PMC Picture
 grape
Search Trop  Picture
 wine red wine
Search  Picture
 wine white wine
Search  Picture
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Synonyms:
 butyl isopropyl ketone
N-butyl isopropyl ketone
3-heptanone, 2-methyl-
 ketone, butyl isopropyl
2-methyl butyl isopropyl ketone
2-methyl heptan-3-one
2-methylbutyl isopropyl ketone
2-methylheptan-3-one
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