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4-decenoic acid

flavoring agents
2D:
3D:
CAS Number: 26303-90-2
ECHA EC Number: 247-599-7
FDA UNII: S0TXC5QGPU
CoE Number: 10089
Category: flavoring agents
IUPAC Name: 4-decenoic acid
InChI : InChI=1/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h6-7H,2-5,8-9H2,1H3,(H,11,12)
Std.InChI: InChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h6-7H,2-5,8-9H2,1H3,(H,11,12)
InChIKey : XKZKQTCECFWKBN-UHFFFAOYAP
Std.InChIKey: XKZKQTCECFWKBN-UHFFFAOYSA-N
SMILES : CCCCCC=CCCC(=O)O
Molar Refractivity : 49.99 ± 0.3 cm3 (est)
Parachor : 439.0 ± 4.0 cm3 (est)
Index of Refraction : 1.462 ± 0.02 (est)
Surface Tension : 33.9 ± 3.0 dyne/cm (est)
Density : 0.936 ± 0.06 g/cm3 (est)
Polarizability : 19.82 ± 0.5 10-24cm3 (est)

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:1287 4-decenoic acid
DG SANTE Food Flavourings:08.075 dec-4-enoic acid
FEMA Number:3914 4-decenoic acid
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):26303-90-2 ; 4-DECENOIC ACID

Physical Properties:

Appearance:colorless clear liquid (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.91500 to 0.92500 @ 20.00 °C.
Pounds per Gallon - (est).: 7.623 to 7.706
Refractive Index:1.14000 to 1.16000 @ 20.00 °C.
Boiling Point: 97.00 to 98.00 °C. @ 0.30 mm Hg
Vapor Pressure:0.001000 mmHg @ 25.00 °C. (est)
Flash Point: 341.00 °F. TCC ( 171.67 °C. )
logP (o/w): 3.640 (est)
Soluble in:
alcohol
water, 86.48 mg/L @ 25 °C (est)
Insoluble in:
water

Cosmetic Information:

None found

Safety Information:

Preferred SDS: View
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-decenoic acid usage levels up to:
not for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU): 1.70 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.40 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): ND (μg/person/day)
Threshold of Concern:1800 (μg/person/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: 19
Click here to view publication 19
average usual ppmaverage maximum ppm
baked goods: 3.000005.00000
beverages(nonalcoholic): 1.000005.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 1.000002.00000
fruit ices: --
gelatins / puddings: 2.000004.00000
granulated sugar: --
gravies: --
hard candy: 2.000004.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: 1.000002.00000
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: 2.000003.00000
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):

Flavouring Group Evaluation 6, Revision 1 (FGE.06Rev1) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf

Flavouring Group Evaluation 62 (FGE.62) Consideration of linear and branched-chain aliphatic unsaturated, unconjugated alcohols, aldehydes, acids, and related esters evaluated by JECFA (61st meeting) structurally related to esters of branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and branched- and straight-chain unsaturated carboxylic acids evaluated by EFSA in FGE.05 (2005) and to straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids, and esters evaluated by EFSA in FGE.06 (2004) (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Flavouring Group Evaluation 62 Rev1 (FGE.62 Rev1): Consideration of of linear and branched-chain aliphatic unsaturated, unconjugated alcohols, aldehydes, acids, and related esters evaluated by JECFA (61st and 68th meeting) structurally related to branched- and straight-chain unsaturated carboxylic acids and esters of these with aliphatic saturated alcohols evaluated by EFSA in FGE.05Rev2 (2010) and to straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids, and esters evaluated by EFSA in FGE.06Rev1 (2008)
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 :5282726
National Institute of Allergy and Infectious Diseases:Data
dec-4-enoic acid
Chemidplus:0026303902

References:

dec-4-enoic acid
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):5282726
Pubchem (sid):135205905

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
KEGG (GenomeNet):C03246
HMDB (The Human Metabolome Database):HMDB06336
FooDB:FDB002991
Export Tariff Code:2916.19.3000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View

Potential Blenders and core components :

None Found

Potential Uses:

FRfruit

Occurrence (nature, food, other):

Synonyms:

dec-4-enoic acid

Articles:

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