2,3-octane dione, 585-25-1

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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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CODE156928 CODE156928
Product(s):
585-25-1 2,3-Octanedione 98%

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
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CODE156928 CODE156928
Product(s):
2,3-OCTANEDIONE

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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CODE156928 CODE156928
Product(s):
15-09750 2,3-OCTANEDIONE
15-09755 2,3-OCTANEDIONE 1% IN ETHYL ALCOHOL

Name:	octane-2,3-dione
CAS Number:	585-25-1	3D/inchi
ECHA EINECS - REACH Pre-Reg:	209-552-9
FDA UNII:	267Z8UAR9Q
Nikkaji Web:	J95.016E
CoE Number:	11166
XlogP3-AA:	1.50 (est)
Molecular Weight:	142.19798000
Formula:	C8 H14 O2
BioActivity Summary:	listing
NMR Predictor:	Predict (works with chrome, Edge 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:	2036 2,3-octanedione
DG SANTE Food Flavourings:	07.248 octane-2,3-dione
FEMA Number:	4060 2,3-octanedione
FDA:	No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):	585-25-1 ; 2,3-OCTANEDIONE

Physical Properties:

Appearance:	colorless to yellow clear liquid (est)
Assay:	95.00 to 100.00
Food Chemicals Codex Listed:	No
Specific Gravity:	0.90500 to 0.91500 @ 25.00 °C.
Pounds per Gallon - (est).:	7.531 to 7.614
Refractive Index:	1.41900 to 1.42400 @ 20.00 °C.
Boiling Point:	169.00 to 170.00 °C. @ 760.00 mm Hg
Boiling Point:	57.00 to 59.00 °C. @ 10.00 mm Hg
Vapor Pressure:	1.297000 mmHg @ 25.00 °C. (est)
Flash Point:	133.00 °F. TCC ( 56.11 °C. )
logP (o/w):	0.698 (est)
Soluble in:
	alcohol
	water, 2.384e+004 mg/L @ 25 °C (est)
Insoluble in:
	water

Organoleptic Properties:

Odor Type: dill

dill asparagus cilantro herbal aldehydic earthy fatty cortex

Odor Description:at 10.00 % in dipropylene glycol. dill asparagus cilantro herbal aldehydic earthy fatty cortex
Luebke, William tgsc, (2017)

Odor sample from: Kingchem Laboratories Inc.

Flavor Type: green

green spicy cilantro fatty leafy cortex herbal

Taste Description: green spicy cilantro fatty leafy cortex herbal
Luebke, William tgsc, (2017)

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

Cosmetic Information:

None found

Suppliers:

BOC Sciences

For experimental / research use only.

2,3-Octanedione 98%

CJ Latta & Associates

2,3-OCTANEDIONE

Kingchem Laboratories

2, 3 OCTANEDIONE

Odor: Dill, cooked broccoli

Parchem

2,3-octane dione

Penta International

2,3-OCTANEDIONE 1% IN ETHYL ALCOHOL

Penta International

2,3-OCTANEDIONE

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 2,3-octane dione usage levels up to:
	not for fragrance use.

Maximised Survey-derived Daily Intakes (MSDI-EU):		0.37 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI):		1600 (μg/person/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: 21
Click here to view publication 21
		average usual ppm	average maximum ppm
baked goods:		20.00000	20.00000
beverages(nonalcoholic):		8.00000	16.00000
beverages(alcoholic):		8.00000	16.00000
breakfast cereal:		-	-
cheese:		-	-
chewing gum:		-	-
condiments / relishes:		-	-
confectionery froastings:		-	-
egg products:		-	-
fats / oils:		-	-
fish products:		-	-
frozen dairy:		12.00000	24.00000
fruit ices:		-	-
gelatins / puddings:		12.00000	24.00000
granulated sugar:		-	-
gravies:		8.00000	16.00000
hard candy:		16.00000	32.00000
imitation dairy:		8.00000	16.00000
instant coffee / tea:		-	-
jams / jellies:		-	-
meat products:		8.00000	16.00000
milk products:		8.00000	16.00000
nut products:		-	-
other grains:		-	-
poultry:		-	-
processed fruits:		-	-
processed vegetables:		-	-
reconstituted vegetables:		-	-
seasonings / flavors:		8.00000	16.00000
snack foods:		8.00000	16.00000
soft candy:		12.00000	24.00000
soups:		8.00000	16.00000
sugar substitutes:		-	-
sweet sauces:		-	-

Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
		average usage mg/kg	maximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0):		3.00000	15.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0):		2.00000	10.00000
Edible ices, including sherbet and sorbet (03.0):		3.00000	15.00000
Processed fruit (04.1):		2.00000	10.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2):		-	-
Confectionery (05.0):		4.00000	20.00000
Chewing gum (05.3):		-	-
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0):		2.00000	10.00000
Bakery wares (07.0):		5.00000	25.00000
Meat and meat products, including poultry and game (08.0):		1.00000	5.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0):		1.00000	5.00000
Eggs and egg products (10.0):		-	-
Sweeteners, including honey (11.0):		-	-
Salts, spices, soups, sauces, salads, protein products, etc. (12.0):		2.00000	10.00000
Foodstuffs intended for particular nutritional uses (13.0):		3.00000	15.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1):		2.00000	10.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2):		4.00000	20.00000
Ready-to-eat savouries (15.0):		5.00000	25.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0):		2.00000	10.00000

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 11, Revision 2 (FGE.11Rev2): Aliphatic dialcohols, diketones, and hydroxyketones from chemical groups 8 and 10
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 11, Revision 3 (FGE.11Rev3): Aliphatic dialcohols, diketones, and hydroxyketones from chemical groups 8 and 10
View page or View pdf

EPI System: View

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :11449

National Institute of Allergy and Infectious Diseases:Data

octane-2,3-dione

Chemidplus:0000585251

References:

	octane-2,3-dione
NIST Chemistry WebBook:	Search Inchi
Pubchem (cid):	11449
Pubchem (sid):	134978659
Pherobase:	View

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):	HMDB31293
FooDB:	FDB003341
Typical G.C.
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View
FAO:	2,3-Octanedione

Potential Blenders and core components note

For Odor

citrus

bergamot oil turkey
FL/FR

floral

cilantro herb oil egypt
FL/FR

dimethyl benzyl carbinyl acetate
FL/FR

geranium oil bourbon
FL/FR

geranium oil china
FL/FR

iso

jasmone
FL/FR

nonanone
FL/FR

phenyl propionaldehyde dimethyl acetal
FL/FR

fruity

para-

anisyl methyl ketone
FL/FR

(E)-2-

hexen-1-ol
FL/FR

green

cumin acetaldehyde
FL/FR

black

currant bud absolute replacer
FL/FR

iso

cyclocitral (IFF)
FL/FR

phenethyl tiglate
FL/FR

3,5,5-

trimethyl hexanol
FL/FR

herbal

(+)-alpha-

campholenic aldehyde
FL/FR

clary sage oil america
FL/FR

clary sage oil france
FL/FR

clary sage oil russia
FL/FR

coriander oleoresin
FL/FR

lavender absolute france
FL/FR

spike

lavender oil
FL/FR

curled

parsley leaf oil
FL/FR

curled

parsley seed oil
FL/FR

minty

dextro-

dihydrocarvone
FL/FR

spicy

iso

butyl angelate
FL/FR

cardamom seed oil CO2 extract
FL/FR

cuminaldehyde
FL/FR

black

currant bud absolute
FL/FR

octanol
FL/FR

waxy

(Z)-3-

nonen-1-ol
FL/FR

woody

camphene
FL/FR

For Flavor

camphoreous

camphene
FL/FR

citrus

bergamot oil turkey
FL/FR

cooling

spike

lavender oil
FL/FR

floral

dimethyl benzyl carbinyl acetate
FL/FR

geranium oil bourbon
FL/FR

geranium oil china
FL/FR

fruity

black

currant bud absolute replacer
FL/FR

phenyl propionaldehyde dimethyl acetal
FL/FR

green

iso

butyl angelate
FL/FR

(+)-alpha-

campholenic aldehyde
FL/FR

cumin acetaldehyde
FL/FR

iso

cyclocitral (IFF)
FL/FR

dextro-

dihydrocarvone
FL/FR

green flavor
FL

(E)-2-

hexen-1-ol
FL/FR

horseradish oil
FL

iso

jasmone
FL/FR

nonanone
FL/FR

phenethyl tiglate
FL/FR

3,5,5-

trimethyl hexanol
FL/FR

herbal

cilantro herb oil egypt
FL/FR

clary sage oil america
FL/FR

clary sage oil france
FL/FR

clary sage oil russia
FL/FR

coriander oleoresin
FL/FR

lavender absolute france
FL/FR

parsley flavor
FL

curled

parsley leaf oil
FL/FR

curled

parsley oleoresin
FL

curled

parsley seed oil
FL/FR

radish

horseradish flavor
FL

spicy

para-

anisyl methyl ketone
FL/FR

benzyl isothiocyanate
FL

cardamom seed oil CO2 extract
FL/FR

cumin oleoresin
FL

cuminaldehyde
FL/FR

black

currant bud absolute
FL/FR

octanol
FL/FR

waxy

(Z)-3-

nonen-1-ol
FL/FR

Potential Uses:

FL	dairy
FR	fruit
FL	meat
FL	vegetable

Occurrence (nature, food, other):note

	asparagus cooked asparagus Search Trop Picture
	beef roasted - up to 0.03 mg/kg Search PMC Picture
	chicken roasted chicken - up to 0.07 Search PMC Picture
	fish lean - 0.1 mg/kg Search PMC Picture
	guinea hen - up to 0.112 mg/kg Search PMC Picture
	lamb fat - up to 108 mg/kg Search PMC Picture
	melissa oil slovak republic @ trace% Data GC Search Trop Picture
	mushroom Search PMC Picture
	mutton fat - up to 108 mg/kg Search PMC Picture
	peanut - 0.01 mg/kg Search Trop Picture
	rosemary sap Search Trop Picture
	turkey roasted turkey - up to 0.2 mg/kg Search Picture