EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

4,5-octane dione
4,5-octanedione

Supplier Sponsors

Name:octane-4,5-dione
CAS Number: 5455-24-3Picture of molecule3D/inchi
FDA UNII:9OCI30QIY0
Nikkaji Web:J110.624D
CoE Number:2141
XlogP3-AA:1.20 (est)
Molecular Weight:142.19798000
Formula:C8 H14 O2
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome 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:2037 4,5-octanedione
FLAVIS Number:07.071 (Old)
DG SANTE Food Flavourings:07.071 octane-4,5-dione
FEMA Number:4533 4,5-octanedione
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):5455-24-3 ; 4,5-OCTANEDIONE
 
Physical Properties:
Appearance:yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.90700 to 0.91300 @ 25.00 °C.
Pounds per Gallon - (est).: 7.547 to 7.597
Refractive Index:1.41500 to 1.42100 @ 20.00 °C.
Boiling Point: 168.00 °C. @ 760.00 mm Hg
Boiling Point: 68.00 to 70.00 °C. @ 20.00 mm Hg
Vapor Pressure:1.654000 mmHg @ 25.00 °C. (est)
Flash Point: 133.00 °F. TCC ( 56.11 °C. )
logP (o/w): 0.698 (est)
Soluble in:
 alcohol
 water, slightly
 water, 2.384e+004 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: fatty
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
fatty buttery creamy
Odor Description:at 1.00 % in propylene glycol. fatty buttery creamy
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
4,5-Octanedione 95%
Parchem
4,5-octane dione
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
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 4,5-octane dione usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.0012 (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: 24
Click here to view publication 24
 average usual ppmaverage maximum ppm
baked goods: 0.010001.00000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: 0.010001.00000
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: 0.010001.00000
granulated sugar: --
gravies: --
hard candy: 0.010001.00000
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: 0.010001.00000
soft candy: --
soups: --
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/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 3.0000015.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 2.0000010.00000
Edible ices, including sherbet and sorbet (03.0): 3.0000015.00000
Processed fruit (04.1): 2.0000010.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 4.0000020.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 2.0000010.00000
Bakery wares (07.0): 5.0000025.00000
Meat and meat products, including poultry and game (08.0): 1.000005.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 1.000005.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 2.0000010.00000
Foodstuffs intended for particular nutritional uses (13.0): 3.0000015.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 2.0000010.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 4.0000020.00000
Ready-to-eat savouries (15.0): 5.0000025.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 2.0000010.00000
 
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):

Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 11 (FGE.11): Aliphatic dialcohols, diketones, and hydroxyketones from chemical group 10 (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Flavouring Group Evaluation 11, Revision 1 (FGE.11Rev1) - Aliphatic dialcohols, diketones, and hydroxyketones from chemical group 10 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf

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
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :138508
National Institute of Allergy and Infectious Diseases:Data
octane-4,5-dione
Chemidplus:0005455243
 
References:
 octane-4,5-dione
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):138508
Pubchem (sid):135094559
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (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
CHEMBL:View
HMDB (The Human Metabolome Database):Search
ChemSpider:View
FAO:4,5-Octanedione
 
Potential Blenders and core components note
For Odor
bready
coffee furanone
FL/FR
buttery
acetoin dimer
FL/FR
acetoin propylene glycol acetal
FL/FR
acetyl isobutyryl
FL/FR
fatty
butter esters
FL/FR
7-
decen-4-olide
FL/FR
floral
benzyl lactate
FL/FR
fruity
gamma-
decalactone
FL/FR
(S)-delta-
decalactone
FL/FR
2-
methyl butyl butyrate
FL/FR
soapy
ethyl undecanoate
FL/FR
waxy
delta-
tetradecalactone
FL/FR
For Flavor
No flavor group found for these
benzyl lactate
FL/FR
(S)-delta-
decalactone
FL/FR
7-
decen-4-olide
FL/FR
buttery
buttery
acetoin propylene glycol acetal
FL/FR
diacetyl
FL
creamy
acetyl isobutyryl
FL/FR
butter esters
FL/FR
dairy
acetoin dimer
FL/FR
fruity
gamma-
decalactone
FL/FR
2-
methyl butyl butyrate
FL/FR
herbal
5-
hydroxymethyl furfural
FL
nutty
coffee furanone
FL/FR
waxy
ethyl undecanoate
FL/FR
delta-
tetradecalactone
FL/FR
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 bibutyryl
4,5-octadione
 octane-4,5-dione
N-octane-4,5-dione
4,5-octanedione
 
 
Notes:
None found
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