3-hepten-2-one
N-butylidene acetone
 
Notes:
Flavouring ingredient
  • Alfrebro
    • Alfrebro LLC/ Archer Daniels Midland Company
      Let's get reacquainted
      Building great taste with aroma chemicals, extracts, and distillates
      The Alfrebro brand was established in the early 1900s by Alex Fries & Brothers, a Cincinnati Flavor Company. In 1980, the brand was re-launched as an aroma chemical manufacturer. Since its inception, Alfrebro’s primary focus has been to provide quality natural and high value synthetic chemicals.
      Email: Sarah Forbis
      Email: Sales
      Voice: 513-539-3021
      Fax: 513-539-7372
      US Voice: 513-539-7373
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      Product(s):
      Coconut Ketone NATURAL 10% in EtOH (3-HEPTENE-2-ONE)
       
  • Bedoukian Research
    • Bedoukian Research, Inc.
      Constantly Improving
      Working closely with our customers to meet their requirements.
      Paul Bedoukian founded the company to fill a niche as a supplier of high quality specialty aroma and flavor ingredients. In 1975 the company began manufacturing insect pheromones which are chemically similar to flavor and fragrance ingredients. Today, Bedoukian Research offers more than 450 Aroma Chemicals and 50 Insect Pheromones, while also providing custom manufacturing services to the pharmaceutical, agrochemical, and specialty chemical industries.
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      Products List: View
      Product(s):
      610 3-HEPTEN-2-ONE ≥96.0%, Kosher, Special Order
      SDS
      Adds an interesting green note to fruity compositions.
      For use in caraway, passion fruit and pineapple flavors.
       
       
  • BOC Sciences
    • BOC Sciences
      Best of Chemicals Supplier
      Quality supplier of research chemicals and biochemicals including inhibitors, building blocks, GMP Products, impurities and metabolites, APIs for Veterinary, Natural Compounds, ADCs, Stem Cell Molecule and chiral compounds.
      BOC Sciences provides a wide range of services to support the pharmaceutical industry through all stages of drug discovery including Custom Synthesis of those chemicals that are not in stock, Isotope Labeling Service, Chiral Synthesis and Resolution, Bioconjugation, PEGylation services, analytical services.
      BOC Sciences is a brand of BOCSCI Inc. We leverage our wide spectrum of business in the fields of development, manufacturing, marketing, and distribution to help you make best-informed decisions tailored to your evolving needs for premium chemicals. Our complete suite of CRO services spans the entire molecule development pipeline including contract research for target identification, building blocks, compound synthesis, biochemical and cellular analysis, preclinical animal tests, and clinical studies.
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      US Email: Marketing
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      US Email: Sales
      Voice: 1-631-504-6093
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      Product(s):
      1119-44-4 3-HEPTEN-2-ONE 96.0%
       
  • CJ Latta & Associates
    • CJ Latta & Associates, LLC
      Extensive Line
      Aromatic Chemicals and Organic Acids.
      CJ Latta & Associates is a distributor of specialty aromatics and organic acids used in the formulation of flavors and fragrance manufactured worldwide. We pride ourselves on our reputation for, fair pricing, quality and reliability. We’ve built our business on successfully sourcing and developing many challenging specialty chemicals and fine ingredients for our clients.
      Email: Info
      US Email: Chip Latta
      Email: Sales
      US Email: Chip Latta
      Voice: (630) 240-8079
      Product(s):
      3-HEPTENE-2-ONE
       
  • Penta International
    • Penta International Corporation
      Chemistry innovation
      At Penta, our products and services help businesses do business better.
      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.
      US Email: Technical Services
      US Email: Sales
      US Voice: (973) 740-2300
      US Fax: (973) 740-1839
      Product(s):
      08-11800 3-HEPTEN-2-ONE
      08-11815 3-HEPTEN-2-ONE NATURAL 10% IN ETHYL ALCOHOL
       
  • Sigma-Aldrich
  • TCI AMERICA
    • TCI AMERICA
      Moving Your Chemistry Forward
      We continuously strive to advance our technology.
      With East & West Coast distribution centers, count on TCI to deliver products quickly and reliably. Over 30,000 Reagents available today in benchtop to bulk quantities. We also offer custom synthesis solutions. Sign up for a TCI account today for fast and free shipping!
      Tokyo Chemical Industry Co., Ltd. (TCI) is a leading worldwide manufacturer of specialty organic chemicals founded in 1946. TCI provides organic laboratory chemicals as well as pharmaceutical, cosmetic and functional materials. More than 70 years of synthesis experience and multi-purpose plants enable TCI to offer more than 30,000 products as well as custom synthesis.
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      Product(s):
      H0838 3-Hepten-2-one >95.0%(GC)
       
Synonyms   Articles   Notes   Search
CAS Number: 1119-44-4Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 214-278-8
Nikkaji Web: J110.419E
MDL: MFCD00015564
CoE Number: 11094
XlogP3-AA: 1.70 (est)
Molecular Weight: 112.17184000
Formula: C7 H12 O
NMR Predictor: Predict (works with chrome or firefox)
Category: flavor and fragrance 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: 1127  3-hepten-2-one
DG SANTE Food Flavourings: 07.105  hept-3-en-2-one
FEMA Number: 3400 3-hepten-2-one
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):1119-44-4 ; 3-HEPTEN-2-ONE
Synonyms   Articles   Notes   Search   Top
Physical Properties:
Appearance: colorless clear oily liquid (est)
Assay: 96.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.84100 to 0.84700 @  25.00 °C.
Pounds per Gallon - (est).: 6.998 to  7.048
Refractive Index: 1.43900 to 1.44800 @  20.00 °C.
Boiling Point: 63.00 °C. @ 13.00 mm Hg
Boiling Point: 85.00 °C. @ 66.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure: 2.703000 mmHg @ 25.00 °C. (est)
Vapor Density: >1 ( Air = 1 )
Flash Point: 120.00 °F. TCC ( 48.89 °C. )
logP (o/w): 1.670 (est)
Soluble in:
 alcohol
 water, slightly
 water, 3087 mg/L @ 25 °C (est)
Insoluble in:
 water
Synonyms   Articles   Notes   Search   Top
Organoleptic Properties:
 
Odor Type: green
 
Odor Strength: high ,
recommend smelling in a 10.00 % solution or less
 
Substantivity: > 1 hour(s) at 100.00 %
 
 green  grassy  caraway  
Odor Description:
at 10.00 % in dipropylene glycol. 
green grassy caraway
 
 sweet  fruity  ketonic  cheesy  green  woody  
Odor Description:
Sweet, fruity, ketonic, cheesy, with a green woody nuance
Mosciano, Gerard P&F 18, No. 1, 43, (1993)
 
 
Flavor Type: creamy
 
 creamy  coconut  cheesy  
Taste Description:
at 10.00 ppm.  
Creamy, coconut, cheesy
Mosciano, Gerard P&F 18, No. 1, 43, (1993)
 
Odor and/or flavor descriptions from others (if found).
 
Bedoukian Research
3-HEPTEN-2-ONE ≥96.0%, Kosher, Special Order
Odor Description: A powerful, green grassy, caraway note
Adds an interesting green note to fruity compositions.
Taste Description: creamy
For use in caraway, passion fruit and pineapple flavors.
 
 
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Cosmetic Information:
None found
Synonyms   Articles   Notes   Search   Top
Suppliers:
Alfrebro
Coconut Ketone NATURAL 10% in EtOH (3-HEPTENE-2-ONE)
Bedoukian Research
3-HEPTEN-2-ONE
≥96.0%, Kosher, Special Order
Odor: A powerful, green grassy, caraway note
Use: Adds an interesting green note to fruity compositions.
Flavor: creamy
For use in caraway, passion fruit and pineapple flavors.
BOC Sciences
For experimental / research use only.
3-HEPTEN-2-ONE 96.0%
CJ Latta & Associates
3-HEPTENE-2-ONE
Parchem
3-hepten-2-one
Penta International
3-HEPTEN-2-ONE NATURAL 10% IN ETHYL ALCOHOL
Penta International
3-HEPTEN-2-ONE
Santa Cruz Biotechnology
For experimental / research use only.
3-Hepten-2-one
Sigma-Aldrich
Coconut ketone solution, 10 wt. % in ethanol, natural (US)
Odor: green; grassy
Certified Food Grade Products
TCI AMERICA
For experimental / research use only.
3-Hepten-2-one >95.0%(GC)
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Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 10 - Flammable.
R 38 - Irritating to skin.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 24 - Avoid contact with skin.
S 36 - Wear suitable protective clothing.
 
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: flavor and fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for 3-hepten-2-one usage levels up to:
  0.5000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.16 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.07 (μg/capita/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: 7
Click here to view publication 7
 average usual ppmaverage maximum ppm
baked goods: -2.00000
beverages(nonalcoholic): -1.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -1.00000
fruit ices: -1.00000
gelatins / puddings: -2.00000
granulated sugar: --
gravies: --
hard candy: -2.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: -0.70000
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):
Scientific Opinion on Flavouring Group Evaluation 204 (FGE.204): Consideration of genotoxicity data on representatives for 18 mono-unsaturated, aliphatic, a,▀-unsaturated ketones and precursors from chemical subgroup 1.2.1 of FGE.19 by EFSA
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 204 Revision 1 (FGE.204Rev1): consideration of genotoxicity data on representatives for 17 monounsaturated, aliphatic, a,▀-unsaturated ketones and precursors from chemical subgroup 1.2.1 of FGE.19
View page or View pdf
EPI System: View
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA Substance Registry Services (TSCA): 1119-44-4
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 5364578
National Institute of Allergy and Infectious Diseases: Data
WISER: UN 1224
WGK Germany: 3
 hept-3-en-2-one
Chemidplus: 0001119444
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References:
 hept-3-en-2-one
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 1119-44-4
Pubchem (cid): 5364578
Pubchem (sid): 134979780
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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
HMDB (The Human Metabolome Database): HMDB31486
FooDB: FDB008064
Export Tariff Code: 2914.19.0000
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Synonyms   Articles   Notes   Search   Top
Potential Blenders and core components note
 
For Odor
acidic
acidic
isobutyric acidFL/FR
 cyclohexyl acetic acidFL/FR
2-methyl butyric acidFL/FR
alliaceous
 dibutyl sulfideFL/FR
buttery
 acetyl propionylFL/FR
 butyl butyryl lactateFL/FR
2,3-heptane dioneFL/FR
cheesy
 butyric acidFL/FR
2-methyl hexanoic acidFL/FR
S-(methyl thio) butyrateFL/FR
2-methyl valeric acidFL/FR
2-methyl-2-hexenoic acidFR
citrus
 lemongrass oilFL/FR
 litsea cubeba fruit oilFL/FR
coconut
alpha-angelica lactoneFL/FR
delta-decalactoneFL/FR
gamma-heptalactoneFL/FR
gamma-octalactoneFL/FR
coumarinic
 phthalideFL/FR
delta-tridecalactoneFL/FR
 waxy lactoneFL/FR
 hexanoic acidFL/FR
floral
 mimosa absoluteFL/FR
 mimosa absolute franceFL/FR
 mimosa absolute indiaFL/FR
 mimosa absolute moroccoFL/FR
 cyclohexyl carboxylic acidFL/FR
 filbert hexenoneFL/FR
4-heptanoneFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
 methyl (Z)-5-octenoateFL/FR
 methyl 4-methyl valerateFL/FR
2-methyl butyl isovalerateFL/FR
2-methyl-2-pentenalFL/FR
2-nonanoneFL/FR
 peach cyclopentanoneFR
 prenyl ethyl etherFL/FR
 prenyl hexanoateFL/FR
 sorbyl butyrateFL/FR
gamma-undecalactone (aldehyde C-14 (so-called))FL/FR
fungal
1-decen-3-olFL/FR
 alfalfa absoluteFR
 alfalfa oilFL/FR
 alfalfa resinoidFL/FR
 bark carbaldehydeFR
 butyl 2-methyl butyrateFL/FR
 butyl heptanoateFL/FR
sec-butyl-3-methyl but-2-ene thioateFL/FR
 cognac heptanoneFL/FR
3,7-dimethyl-6-octenoic acidFL/FR
 green specialtyFR
3-heptanoneFL/FR
(Z)-3-hepten-1-olFL/FR
 heptyl heptanoateFL/FR
 hexanal dihexyl acetalFL/FR
(Z)-3-hexen-1-olFL/FR
(Z)-3-hexenalFL/FR
(E)-2-hexenalFL/FR
 hexyl butyrateFL/FR
 hexyl hexanoateFL/FR
 lilac acetaldehydeFL/FR
 propylene acetalFL/FR
3,5,5-trimethyl hexanolFL/FR
herbal
 clary sage resin americaFR
3-octanoneFL/FR
 oregano specialtyFR
minty
isopulegolFL/FR
(-)-isopulegolFL/FR
musk
isoambrettolideFL/FR
nutty
 nutty quinoxalineFL/FR
soapy
 ethyl undecanoateFL/FR
spicy
3-(2-furyl) acroleinFL/FR
tonka
6-amyl-alpha-pyroneFL/FR
 mint lactoneFL/FR
waxy
2-methyl heptanoic acidFL/FR
 methyl laurateFL/FR
 nonanoic acidFL/FR
2-nonanolFL/FR
 undecanoic acidFL/FR
 
For Flavor
 
No flavor group found for these
2-acetyl-4-isopropenyl pyridineFL
2-acetyl-4-isopropyl pyridineFL
 butyl 2-methyl butyrateFL/FR
 butyl methyl ketoneFL
sec-butyl-3-methyl but-2-ene thioateFL/FR
 ethyl cyclohexyl carboxylateFL
2-ethyl pyridineFL
3-(2-furyl) acroleinFL/FR
(E,E)-2,4-heptadien-1-olFL
(Z)-3-hepten-1-olFL/FR
2-heptenoic acidFL
 hexanal dihexyl acetalFL/FR
(Z)-3-hexenoic acidFL
5-methyl hexanoic acidFL
3-(methyl thio) hexanalFL
4-methyl valeric acidFL
(E,E)-3,5-octadien-2-oneFL
 prenyl ethyl etherFL/FR
 prenyl hexanoateFL/FR
 propylene acetalFL/FR
acidic
isobutyric acidFL/FR
buttery
2,3-heptane dioneFL/FR
2-methyl valeric acidFL/FR
(E)-2-pentenoic acidFL
cheesy
 hexanoic acidFL/FR
2-nonanoneFL/FR
citrus
 cognac heptanoneFL/FR
 lemongrass oilFL/FR
 litsea cubeba fruit oilFL/FR
coconut
delta-decalactoneFL/FR
 massoia bark oil CO2 extractFL
(R)-massoia lactoneFL
coumarinic
 phthalideFL/FR
creamy
 acetoin butyrateFL
6-amyl-alpha-pyroneFL/FR
alpha-angelica lactoneFL/FR
 butyl butyryl lactateFL/FR
5,5-dibutyl dihydrofuran-2(3H)-oneFL
 massoia lactoneFL
2-methyl-4-pentenoic acidFL
 mint lactoneFL/FR
delta-tridecalactoneFL/FR
gamma-undecalactone (aldehyde C-14 (so-called))FL/FR
 waxy lactoneFL/FR
dairy
 methyl (Z)-5-octenoateFL/FR
4-pentenoic acidFL
earthy
1-decen-3-olFL/FR
fatty
 dimethyl sulfoxideFL
 nonanoic acidFL/FR
(E)-2-octenoic acidFL
fermented
 methyl thio isovalerateFL
floral
3,7-dimethyl-6-octenoic acidFL/FR
 mimosa absolute moroccoFL/FR
fruity
 banana coconut cream flavorFL
 butyl heptanoateFL/FR
 cyclohexyl carboxylic acidFL/FR
 filbert hexenoneFL/FR
2-furyl pentyl ketoneFL
4-heptanoneFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
 hexyl hexanoateFL/FR
 lilac acetaldehydeFL/FR
 methyl 4-methyl valerateFL/FR
2-methyl butyl isovalerateFL/FR
2-methyl butyric acidFL/FR
2-methyl-2-pentenalFL/FR
 sorbyl butyrateFL/FR
green
 alfalfa oilFL/FR
 alfalfa resinoidFL/FR
 dibutyl sulfideFL/FR
 heptyl heptanoateFL/FR
(Z)-3-hexen-1-olFL/FR
(Z)-3-hexenalFL/FR
(E)-2-hexenalFL/FR
(E)-3-hexenoic acidFL
 hexyl butyrateFL/FR
3,5,5-trimethyl hexanolFL/FR
ketonic
3-heptanoneFL/FR
lactonic
gamma-heptalactoneFL/FR
gamma-octalactoneFL/FR
meaty
2-methyl 3-(methyl thio) furanFL
minty
(-)-isopulegolFL/FR
isopulegolFL/FR
mushroom
3-octanoneFL/FR
musk
isoambrettolideFL/FR
musty
S-(methyl thio) butyrateFL/FR
nutty
 nutty quinoxalineFL/FR
oily
2-methyl hexanoic acidFL/FR
sour
 butyric acidFL/FR
2,4-dimethyl-2-pentenoic acidFL
3-methyl valeric acidFL
sulfurous
 methyl 4-(methyl thio) butyrateFL
sweet
 cyclohexyl acetic acidFL/FR
toasted
 acetyl propionylFL/FR
waxy
 ethyl undecanoateFL/FR
2-methyl heptanoic acidFL/FR
 methyl laurateFL/FR
 mimosa absoluteFL/FR
 mimosa absolute franceFL/FR
 mimosa absolute indiaFL/FR
2-nonanolFL/FR
 undecanoic acidFL/FR
 
Synonyms   Articles   Notes   Search   Top
Potential Uses:
 caraway seedFL/FR
 cheeseFL
 coconutFR
 creamFR
 grass 
 greenFR
 melonFR
 passion fruitFR
 pineappleFR
Synonyms   Articles   Notes   Search   Top
Occurrence (nature, food, other): note
 filbert roasted filbert
Search Trop  Picture
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Synonyms:
 butylidene acetone
N-butylidene acetone
 coconut ketone
 coconut ketone 10% in EtOH
 coconut ketone solution
 hept-3-en-2-one
 ketone, methyl pentenyl
 methyl pentenyl ketone
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