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2-heptanone

Chemical Structure

General Material Information

Preferred name 2-heptanone
Trivial Name 2-Heptanone
Short Description methyl amyl ketone
Formula C7 H14 O
CAS Number 110-43-0
FEMA Number 2544
Flavis Number 7.002
ECHA Number 203-767-1
FDA UNII 89VVP1B008
Nikkaji Number J5.091A
Beilstein Number 1699063
MDL MFCD00009513
COE Number 136
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 283 2-heptanone
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 110-43-0 ; 2-HEPTANONE
Synonyms
  • amyl methyl ketone
  • N- amyl methyl ketone
  • butyl acetone
  • eastapure MAK
  • heptan-2-one
  • heptane-2-one
  • 2-heptanone
  • 2-heptanone (methyl amyl ketone) natural
  • 2-heptanone natural
  • heptanone-2
  • 2-heptanone, natural
  • ketone C-7
  • ketone, methyl pentyl
  • MAK
  • methyl (N-amyl) ketone
  • methyl amyl ketone
  • methyl amyl ketone (2-heptanone)
  • methyl amyl ketone FCC
  • methyl amyl ketone natural
  • methyl N-amyl ketone
  • methyl N-pentyl ketone
  • methyl pentyl ketone
  • methyl-amyl-cetone
  • methyl-N-amylketone
  • pentyl methyl ketone
  • N- pentyl methyl ketone
  • n-Amyl methyl ketone
  • Butylacetone
  • n-Pentyl methyl ketone
  • 1-Methylhexanal
  • 2-Oxoheptane
  • NSC 7313

US / EU / FDA / JECFA / FEMA / Scholar / Patents

Google Scholar Start search
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Literature & References

heptan-2-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:110-43-0
Pubchem (cid):8051
Pubchem (sid):134974351
Flavornet:110-43-0
Pherobase:View
Publications by Info
Heptan-2-one
Volatile Flavor Components in Bogyojosaeng and Suhong Cultivars of Strawberry (Fragaria ananassa Duch.)
Publications by US Patents
3,952,024 - Furfurylthioacetone
Certain 2,5-dimethyl-3-thiopyrazines

Other Information

(IUPAC):Atomic Weights of the Elements 2011 (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
CHEBI:View
CHEMBL:View
KEGG (GenomeNet):C08380
HMDB (The Human Metabolome Database):HMDB03671
FooDB:FDB008055
YMDB (Yeast Metabolome Database):YMDB01337
Export Tariff Code:2914.19.0000
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
Formulations/Preparations:
grade: technical

PhysChem Properties

Material listed in food chemical codex Yes
Molecular weight 114.1877822876
Specific gravity @ 25 °C
Pounds per Gallon 6.773 to 6.815
Refractive Index 1.408 to 1.415 @ 20 °C
Boiling Point 149 to 150°C @ 760 mm Hg
Acid Value 2 max KOH/g
Vapor Pressure 4.732 mmHg @ 25 °C
Flash Point TCC Value 47.22 °C TCC
logP (o/w) 1.98
Solubility
alcohol Yes
propylene glycol Yes
water, 2145 mg/L @ 25 °C (est) Yes
water, 4300 mg/L @ 25 °C (exp) Yes
water No
Stability
cream Unspecified
hair spray Unspecified
lipstick Unspecified
lotion Unspecified
non-discoloring in most media Unspecified
shampoo Unspecified
soap Unspecified

Organoleptic Properties

Odor Type: Cheesy
fruity, spicy, sweet, herbal, coconut, woody, cheesy, ketonic, green, banana, creamy
Odor strength high , recommend smelling in a 10.00 % solution or less
Substantivity > 4 hour(s) at 100.00 %
Luebke, William tgsc, (1989) At 10.00 % in dipropylene glycol. fruity spicy sweet herbal coconut woody
Mosciano, Gerard P&F 16, No. 4, 45, (1991) Cheese, fruity, ketonic, green banana, with a creamy nuance
Flavor Type: Cheesy
cheesy, fruity, coconut, waxy, green
Mosciano, Gerard P&F 16, No. 4, 45, (1991) At 20.00 ppm. Cheese, fruity, coconut, waxy, green
Provides fermented notes for blue cheese, as well as fruit flavors, especially apple. Characteristic blue cheese, fermented
2-HEPTANONE brings along with its typical blue cheese character interesting fruity, waxy and green notes which work perfectly in cheese, butter, rum, whisky, nut and various fruit flavors. Very characteristic blue cheese note

Occurrences

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 10 - Flammable.
R 20/22 - Harmful by inhalation and if swallowed.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 20/21 - When using do not eat, drink or smoke.
S 23 - Do not breath vapour.
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.
Human Experience:
4 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
oral-rat LD50 [sex: M] 1670 mg/kg
(Smyth et al., 1962)

oral-mouse LD50 [sex: M] 2407 mg/kg
(Tanii et al., 1986)

oral-mouse LD50 1088 mg/kg
(Schafer & Bowles, 1985)

oral-mouse LD50 730 mg/kg
(Srepel & Akacic, 1962)

intraperitoneal-mouse LD50 400 mg/kg
"Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4757, 1982.

oral-mouse LD50 730 mg/kg
Acta Pharmaceutica Jugoslavica. Vol. 12, Pg. 79, 1962.

Dermal Toxicity:
skin-rabbit LD50 12600 ul/kg
American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.

Inhalation Toxicity:
inhalation-rat LCLo 4000 ppm/4H
American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.

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 2-heptanone usage levels up to:
2.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 96.00 (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: 3
Click here to view publication 3
average usual ppmaverage maximum ppm
baked goods: -13.00000
beverages(nonalcoholic): -2.70000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: 10.0000025.00000
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -6.00000
fruit ices: -6.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -6.40000
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 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 1 (FGE.07Rev1): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Scientific opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission
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

Safety and efficacy of saturated and unsaturated aliphatic secondary alcohols, ketones and esters with esters containing secondary alcohols belonging to chemical group 5 when used as flavourings for all animal species
View page or View pdf

EPI System: View
NIOSH International Chemical Safety Cards:search
NIOSH Pocket Guide:search
Chemical Carcinogenesis Research Information System:Search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):110-43-0
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :8051
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1110
WGK Germany:1
heptan-2-one
Chemidplus:0000110430
EPA/NOAA CAMEO:hazardous materials
RTECS:110-43-0