2-hepten-4-one, 4643-25-8

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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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Voice: 1-631-485-4226
Fax: 1-631-614-7828
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CODE102572 CODE102572
Product(s):
4643-25-8 2-Hepten-4-one

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.
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CODE102572 CODE102572
Product(s):
08-11775 2-HEPTEN-4-ONE

Name:	hept-2-en-4-one
CAS Number:	4643-25-8	3D/inchi
ECHA EINECS - REACH Pre-Reg:	225-070-1
FDA UNII:	RSJ7CM9MIK
Nikkaji Web:	J297.861J
CoE Number:	11093
XlogP3-AA:	1.60 (est)
Molecular Weight:	112.17184000
Formula:	C7 H12 O
NMR Predictor:	Predict (works with chrome, Edge or firefox)
Also(can) Contains:	(E)-2-hepten-4-one

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:	1126 2-hepten-4-one
DG SANTE Food Flavourings:	07.104 hept-2-en-4-one
FEMA Number:	3399 2-hepten-4-one
FDA:	No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):	4643-25-8 ; 2-HEPTEN-4-ONE

Physical Properties:

Appearance:	colorless clear liquid (est)
Assay:	99.00 to 100.00 sum of isomers
Food Chemicals Codex Listed:	No
Specific Gravity:	0.84500 to 0.85200 @ 25.00 °C.
Pounds per Gallon - (est).:	7.031 to 7.089
Refractive Index:	1.44000 to 1.44500 @ 20.00 °C.
Boiling Point:	156.00 to 157.00 °C. @ 760.00 mm Hg
Boiling Point:	74.00 to 75.00 °C. @ 12.00 mm Hg
Vapor Pressure:	2.703000 mmHg @ 25.00 °C. (est)
Flash Point:	126.00 °F. TCC ( 52.22 °C. )
logP (o/w):	1.670 (est)
Soluble in:
	alcohol
	water, slightly
	water, 3087 mg/L @ 25 °C (est)
Insoluble in:
	water

Organoleptic Properties:

Odor Type: ethereal

ethereal

Odor Description:at 0.10 % in propylene glycol. ethereal

Flavor Type: vegetable

asparagus vegetable

Taste Description: asparagus

Odor and/or flavor descriptions from others (if found).

Cosmetic Information:

None found

Suppliers:

BOC Sciences

For experimental / research use only.

2-Hepten-4-one

Kingchem Laboratories

2 HEPTEN 4 ONE

Odor: Very diffusive ethereal

Flavor: vegetable like asparagus

Safety Information:


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-hepten-4-one usage levels up to:
	not for fragrance use.

Maximised Survey-derived Daily Intakes (MSDI-EU):		0.012 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA):		ND (μg/capita/day)
Structure Class:		I
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 ppm	average 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:		-	1.00000
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):

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):4643-25-8

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :5463238

National Institute of Allergy and Infectious Diseases:Data

hept-2-en-4-one

Chemidplus:0004643258

References:

	hept-2-en-4-one
NIST Chemistry WebBook:	Search Inchi
Canada Domestic Sub. List:	4643-25-8
Pubchem (cid):	5463238
Pubchem (sid):	134986356

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):	HMDB31488
FooDB:	FDB008066
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View