We have found 46587 results matching your criteria.
Please wait while we search...
  1. 1.
    General Material Information
  2. 2.
    PhysChem Properties
  3. 3.
    Occurrences
  4. 4.
    Organoleptic Properties
  5. 5.
    Suppliers
  6. 6.
    Potential Uses
  7. 7.
    Regulatory & Documentation
  8. 8.
    Safety Information
  9. 9.
    Other Information
  10. 10.
    Blenders & Components
  11. 11.
    Literature & References

3-heptanone

Chemical Structure

General Material Information

Preferred name 3-heptanone
Trivial Name 3-Heptanone
Short Description ethyl butyl ketone
Formula C7 H14 O
CAS Number 106-35-4
FEMA Number 2545
Flavis Number 7.003
ECHA Number 203-388-1
FDA UNII 10GA6SR3AT
Nikkaji Number J35.922J
Beilstein Number 0506161
MDL MFCD00009483
COE Number 137
xLogP3-AA 1.80 (est)
NMR Predictor External link
JECFA Food Flavoring 285 3-heptanone
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 106-35-4 ; 3-HEPTANONE
Synonyms
  • butyl ethyl ketone
  • N- butyl ethyl ketone
  • ethyl butyl ketone
  • ethyl N-butyl ketone
  • ethyl-N-butyl ketone
  • ethylbutylcetone
  • ethylbutylketone
  • etilbutilchetone
  • heptan-3-one
  • 3-heptanone
  • ketone, butyl ethyl
  • n-Butyl ethyl ketone
  • 3-Oxoheptane
  • NSC 8448
  • 5-Heptanone

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

Google Scholar Start search
Google Books Start search
Google Patents Start search
Perfumer & Flavorists Start search
EU Patents Start search
PubMeb Start search
NCBI Start search

Literature & References

heptan-3-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:106-35-4
Pubchem (cid):7802
Pubchem (sid):134971636
Pherobase:View
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
HMDB (The Human Metabolome Database):HMDB31482
FooDB:FDB008058
Export Tariff Code:2914.19.0000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View

PhysChem Properties

Material listed in food chemical codex Yes
Molecular weight 114.1877822876
Boiling Point 146 to 148°C @ 760 mm Hg
Acid Value 2 max KOH/g
Vapor Pressure 4.215 mmHg @ 25 °C
Vapor Density 3.93
Flash Point TCC Value 41.11 °C TCC
logP (o/w) 1.996 est
Solubility
alcohol Yes
water, 4300 mg/L @ 20 °C (exp) Yes
water No

Organoleptic Properties

Odor Type: Green
green, fatty, fruity, ketonic, sweet, musty, cheesy
Odor strength high , recommend smelling in a 1.00 % solution or less
Substantivity > 1 hour(s) at 100.00 %
General comment At 1.00 % in dipropylene glycol. powerful green fatty fruity
Mosciano, Gerard P&F 17, No. 3, 57, (1992) Fruity ketonic, sweet with a musty cheese-like note
Flavor Type: Ketonic
fruity, ketonic, cheesy, creamy
General comment Fruity
Mosciano, Gerard P&F 17, No. 3, 57, (1992) At 50.00 ppm. Ketonic, with a cheese-like creamy character
Used in melon, nut, and banana flavors. Fruity

Occurrences

Potential Uses

Applications
Odor purposes Apple, Banana, Fungus, Green, Melon
Flavoring purposes Cheese blue cheese, Cheese parmesan cheese, Cheese romano cheese, Nut
Cosmetic purposes Perfuming agents

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 10 - Flammable.
R 20 - Harmful by inhalation.
R 36 - Irritating to eyes.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
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 2760 mg/kg
(Smyth et al., 1949)

oral-rat LD50 2760 mg/kg
Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 60, 1949.

Dermal Toxicity:
skin-rabbit LD50 > 20 ml/kg
Union Carbide Data Sheet. Vol. 3/12/1969

Inhalation Toxicity:
inhalation-rat LCLo 2000 ppm/4H
Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 343, 1949.

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-heptanone usage levels up to:
4.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 3.30 (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: 0.25000130.00000
beverages(nonalcoholic): 0.130002.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 0.25000170.00000
fruit ices: 0.25000170.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -67.00000
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 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 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

EPI System: View
NIOSH International Chemical Safety Cards:search
NIOSH Pocket Guide:search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):106-35-4
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7802
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1224
WGK Germany:1
heptan-3-one
Chemidplus:0000106354
EPA/NOAA CAMEO:hazardous materials
RTECS:106-35-4