EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

2-methyl-3-heptanone
2-methylheptan-3-one

Supplier Sponsors

Name:2-methylheptan-3-one
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
 
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
 
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).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
2-Methyl-3-heptanone
Parchem
2-methyl-3-heptanone
Penta International
2-METHYL-3-HEPTANONE, Kosher
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)
 
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
 
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
 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: --
 
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
 
References:
 2-methylheptan-3-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):25611
Pubchem (sid):134989588
 
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
 
Potential Blenders and core components note
For Odor
animal
methyl (E)-2-octenoate
FL/FR
balsamic
iso
amyl benzoate
FL/FR
citrus
2-
heptanol
FL/FR
ethereal
cyclohexyl formate
FL/FR
fatty
3-
decen-2-one
FL/FR
methyl (E)-2-hexenoate
FL/FR
methyl 2-hexenoate
FL/FR
floral
allyl anthranilate
FL/FR
boronia absolute
FL/FR
dihydrocarvyl acetate
FL/FR
(±)-2,3-
dihydrofarnesol
FL/FR
(E)-
geranyl acetone
FL/FR
geranyl formate
FL/FR
geranyl isobutyrate
FL/FR
hexyl lactate
FL/FR
hexyl nonanoate
FL/FR
(Z)-
jasmone
FL/FR
para-
methyl benzyl acetate
FL/FR
papaya isobutyrate
FL/FR
fruity
allyl butyrate
FL/FR
iso
amyl butyrate
FL/FR
iso
butyl octanoate
FL/FR
iso
butyl propionate
FL/FR
cherry pentenoate
FL/FR
cinnamyl hexanoate
FL/FR
2-
cyclopentyl cyclopentanone
FL/FR
diethyl malonate
FL/FR
dimethyl succinate
FL/FR
ethyl (E)-3-hexenoate
FL/FR
ethyl 2-hexenoate
FL/FR
ethyl 2-octenoate
FL/FR
ethyl acetoacetate
FL/FR
ethyl bicyclo(2.2.1)-5-heptene-2-carboxylate
FL/FR
ethyl levulinate
FL/FR
ethyl methyl-para-tolyl glycidate
FL/FR
(E,E)-
ethyl sorbate
FL/FR
geranyl ethyl ether
FL/FR
geranyl isovalerate
FL/FR
2-
heptyl butyrate
FL/FR
heptyl isobutyrate
FL/FR
(E)-2-
hexen-1-ol
FL/FR
2-
hexen-1-ol
FL/FR
(E)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl anthranilate
FL/FR
(Z)-3-
hexen-1-yl isobutyrate
FL/FR
hexyl (E)-tiglate
FL/FR
hexyl acetate
FL/FR
hexyl isovalerate
FL/FR
hexyl propionate
FL/FR
hexyl valerate
FL/FR
methyl heptanoate
FL/FR
methyl octadienoate
FL/FR
methyl valerate
FL/FR
3-
methyl-2-butenal
FL/FR
octen-1-yl cyclopentanone
FL/FR
octyl butyrate
FL/FR
2-
pentyl furan
FL/FR
3-
phenyl propyl hexanoate
FL/FR
4-
phenyl-2-butyl acetate
FL/FR
pineapple pentenoate
FL/FR
prenyl hexanoate
FL/FR
sorbyl butyrate
FL/FR
(E,E)-
sorbyl butyrate
FL/FR
tetrahydrofurfuryl butyrate
FL/FR
tropical thiazole
FL/FR
tropical trithiane
FL/FR
green
acetaldehyde benzyl 2-methoxyethyl acetal
FL/FR
acetaldehyde butyl phenethyl acetal
FL/FR
acetaldehyde di-(Z)-3-hexen-1-yl acetal
FL/FR
acetaldehyde dipropyl acetal
FL/FR
acetaldehyde ethyl phenethyl acetal
FL/FR
actinidia chinensis fruit extract
FL/FR
black
currant bud absolute replacer
FL/FR
alpha-
decalactone
FL/FR
ethyl (E)-2-hexenoate
FL/FR
ethyl (E)-4-decenoate
FL/FR
green note propionate
FL/FR
1-
heptanol
FL/FR
heptyl cinnamate
FL/FR
(Z)-2-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl (E)-2-hexenoate
FL/FR
(Z)-3-
hexen-1-yl (E)-crotonate
FL/FR
(Z)-3-
hexen-1-yl 2-methyl butyrate
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl benzoate
FL/FR
(Z)-3-
hexen-1-yl hexanoate
FL/FR
(Z)-3-
hexen-1-yl isovalerate
FL/FR
(Z)-3-
hexen-1-yl lactate
FL/FR
(Z)-3-
hexen-1-yl methyl carbonate
FL/FR
(E)-2-
hexen-1-yl propionate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
(Z)-3-
hexen-1-yl valerate
FL/FR
3-
hexenal
FL/FR
(E)-2-
hexenal propylene glycol acetal
FL/FR
3-
hexenyl acetate
FL/FR
hexyl heptanoate
FL/FR
hexyl isobutyrate
FL/FR
hexyl octanoate
FL/FR
manzanate (Givaudan)
FL/FR
methyl (E)-3-hexenoate
FL/FR
methyl heptine carbonate
FL/FR
(E,Z)-2,6-
nonadien-1-yl acetate
FL/FR
(Z)-5-
octen-1-yl propionate
FL/FR
(E)-2-
pentenal
FL/FR
3-
phenyl propionaldehyde
FL/FR
propylene acetal
FL/FR
rose leaf absolute (rosa centifolia)
FL/FR
sorbyl isobutyrate
FL/FR
(E,E)-
sorbyl isobutyrate
FL/FR
styralyl acetate
FL/FR
thiogeraniol
FL/FR
violet leaf oil (viola odorata)
FL/FR
herbal
sweet
basil absolute
FL/FR
lovage tincture
FL/FR
(1S,5R)-
myrtenyl acetate
FL/FR
2-
pentyl acetate
FL/FR
tagete oil india
FL/FR
viridiflorol
FL/FR
minty
carvyl acetate
FL/FR
iso
pulegyl formate
FL/FR
spicy
cinnamyl propionate
FL/FR
sulfurous
4-
methyl 4-mercaptopentan-2-one 1% solution
FL/FR
3-(
methyl thio) hexanol
FL/FR
waxy
methyl butyl phenyl acetate
FL/FR
(E)-
methyl geranate
FL/FR
octyl 2-methyl butyrate
FL/FR
winey
methyl 3-acetoxyoctanoate
FL/FR
For Flavor
No flavor group found for these
acetaldehyde benzyl 2-methoxyethyl acetal
FL/FR
acetaldehyde di-(Z)-3-hexen-1-yl acetal
FL/FR
actinidia chinensis fruit juice
FL
allyl anthranilate
FL/FR
allyl levulinate
FL
allyl tiglate
FL
iso
butyl octanoate
FL/FR
cinnamyl hexanoate
FL/FR
2-
cyclopentyl cyclopentanone
FL/FR
alpha-
decalactone
FL/FR
2,5-
diethyl-4-propyl thiazole
FL
(±)-2,3-
dihydrofarnesol
FL/FR
ethyl 2-(methyl thio) acetate
FL
ethyl 2-hexenoate
FL/FR
ethyl bicyclo(2.2.1)-5-heptene-2-carboxylate
FL/FR
geranyl ethyl ether
FL/FR
2-
heptyl butyrate
FL/FR
heptyl cinnamate
FL/FR
(Z)-3-
hexen-1-yl (E)-crotonate
FL/FR
2-
hexenal
FL
(E)-3-
hexenal
FL
2-
hexenal diethyl acetal
FL
(E)-2-
hexenal propylene glycol acetal
FL/FR
3-
hexenyl acetate
FL/FR
hexyl (E)-2-hexenoate
FL
hexyl heptanoate
FL/FR
hexyl nonanoate
FL/FR
hexyl propionate
FL/FR
hexyl valerate
FL/FR
methyl (E)-2-hexenoate
FL/FR
methyl 2-hexenoate
FL/FR
methyl 3-acetoxyoctanoate
FL/FR
methyl 3-hydroxybutyrate
FL
4-
methyl 4-mercaptopentan-2-one 1% solution
FL/FR
(E)-
methyl geranate
FL/FR
methyl octadienoate
FL/FR
3-
methyl-3-pentanol
FL
(E,E)-3,5-
octadien-2-one
FL
1,5-
octadien-3-ol
FL
3-
octyl butyrate
FL
4-
phenyl-2-butyl acetate
FL/FR
prenyl hexanoate
FL/FR
propylene acetal
FL/FR
iso
pulegyl formate
FL/FR
(E,E)-
sorbyl butyrate
FL/FR
(E,E)-
sorbyl isobutyrate
FL/FR
viridiflorol
FL/FR
sorbyl isobutyrate
FL/FR
alliaceous
alliaceous
tropical thiazole
FL/FR
berry
heptyl isobutyrate
FL/FR
cooling
manzanate (Givaudan)
FL/FR
creamy
2,4-
heptadienal
FL
dairy
2-
pentyl acetate
FL/FR
earthy
1-
hexen-3-yl acetate
FL
estery
ethyl acetoacetate
FL/FR
fatty
ethyl (E)-4-decenoate
FL/FR
(Z)-3-
hexen-1-yl benzoate
FL/FR
floral
cinnamyl propionate
FL/FR
dihydrocarvyl acetate
FL/FR
(E)-
geranyl acetone
FL/FR
geranyl isobutyrate
FL/FR
(Z)-3-
hexen-1-yl anthranilate
FL/FR
fruity
iso
amyl benzoate
FL/FR
boronia absolute
FL/FR
iso
butyl propionate
FL/FR
cherry pentenoate
FL/FR
black
currant bud absolute replacer
FL/FR
diethyl malonate
FL/FR
dimethyl succinate
FL/FR
ethyl (E)-2-hexenoate
FL/FR
ethyl (E)-3-hexenoate
FL/FR
ethyl 2-octenoate
FL/FR
ethyl levulinate
FL/FR
ethyl methyl-para-tolyl glycidate
FL/FR
(E,E)-
ethyl sorbate
FL/FR
2-
heptanol
FL/FR
2-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl (E)-2-hexenoate
FL/FR
(E)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl isobutyrate
FL/FR
hexyl acetate
FL/FR
hexyl lactate
FL/FR
kiwi distillates
FL
methyl (E)-2-octenoate
FL/FR
para-
methyl benzyl acetate
FL/FR
methyl heptanoate
FL/FR
methyl valerate
FL/FR
3-
methyl-2-butenal
FL/FR
(Z)-3-
nonen-1-yl acetate
FL
(Z)-5-
octen-1-yl acetate
FL
octen-1-yl cyclopentanone
FL/FR
3-
phenyl propyl hexanoate
FL/FR
pineapple pentenoate
FL/FR
sorbyl butyrate
FL/FR
styralyl acetate
FL/FR
tetrahydrofurfuryl butyrate
FL/FR
tropical trithiane
FL/FR
green
acetaldehyde butyl phenethyl acetal
FL/FR
acetaldehyde dipropyl acetal
FL/FR
acetaldehyde ethyl phenethyl acetal
FL/FR
actinidia chinensis fruit extract
FL/FR
allyl butyrate
FL/FR
cyclohexyl formate
FL/FR
3-
decen-2-one
FL/FR
geranyl formate
FL/FR
geranyl isovalerate
FL/FR
green note propionate
FL/FR
(E,E)-2,4-
hexadienal
FL
(E)-2-
hexen-1-ol
FL/FR
(Z)-2-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl 2-methyl butyrate
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl hexanoate
FL/FR
(Z)-3-
hexen-1-yl isovalerate
FL/FR
(Z)-3-
hexen-1-yl lactate
FL/FR
(Z)-3-
hexen-1-yl methyl carbonate
FL/FR
(E)-2-
hexen-1-yl propionate
FL/FR
(Z)-3-
hexen-1-yl valerate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
3-
hexenal
FL/FR
hexyl (E)-tiglate
FL/FR
hexyl isobutyrate
FL/FR
hexyl isovalerate
FL/FR
hexyl octanoate
FL/FR
methyl (E)-3-hexenoate
FL/FR
methyl 2-undecynoate
FL
methyl heptine carbonate
FL/FR
(E,Z)-2,6-
nonadien-1-yl acetate
FL/FR
(Z)-5-
octen-1-yl propionate
FL/FR
papaya isobutyrate
FL/FR
(E)-2-
pentenal
FL/FR
2-
pentyl furan
FL/FR
3-
phenyl propionaldehyde
FL/FR
rose leaf absolute (rosa centifolia)
FL/FR
violet leaf oil (viola odorata)
FL/FR
herbal
sweet
basil absolute
FL/FR
lovage tincture
FL/FR
tagete oil india
FL/FR
leafy
methyl butyl phenyl acetate
FL/FR
metallic
3-(
methyl thio) hexanol
FL/FR
minty
carvyl acetate
FL/FR
thiogeraniol
FL/FR
pungent
acetaldehyde
FL
solvent
1-
heptanol
FL/FR
sour
3-
methyl valeric acid
FL
waxy
iso
amyl butyrate
FL/FR
octyl 2-methyl butyrate
FL/FR
octyl butyrate
FL/FR
woody
(Z)-
jasmone
FL/FR
(1S,5R)-
myrtenyl acetate
FL/FR
 
Potential Uses:
FLapple
FLbanana
FLfruit tropical fruit
 
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
 
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
 
 
Notes:
Used as a food additive [EAFUS]
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