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dodecyl isobutyrate

Chemical Structure

General Material Information

Preferred name dodecyl isobutyrate
Trivial Name Dodecyl 2-methylpropanoate
Short Description isobutyric acid, dodecyl ester
Formula C16 H32 O2
CAS Number 6624-71-1
FEMA Number 3452
Flavis Number 9.523
ECHA Number 229-583-1
FDA UNII 02470X34WD
Nikkaji Number J225.220A
COE Number 10563
NMR Predictor External link
JECFA Food Flavoring 193 dodecyl isobutyrate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 6624-71-1 ; DODECYL ISOBUTYRATE
Synonyms
  • iso butyric acid dodecyl ester
  • iso butyric acid, dodecyl ester
  • dodecyl 2-methyl propanoate
  • dodecyl 2-methylpropanoate
  • lauryl 2-methyl propanoate
  • lauryl 2-methylpropanoate
  • lauryl isobutyrate
  • 2-methyl propanoic acid dodecyl ester
  • propanoic acid, 2-methyl-, dodecyl ester
  • Isobutyric acid, dodecyl ester
  • NSC 53823

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Perfumer & Flavorists Start search
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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):HMDB36210
FooDB:FDB015068
Export Tariff Code:2915.60.0000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 256.42944335938
Specific gravity @ 20 °C
Pounds per Gallon 7.114 to 7.164
Refractive Index 1.432 to 1.436 @ 20 °C
Acid Value 1 max KOH/g
Vapor Pressure 0.001 mmHg @ 25 °C
Flash Point TCC Value 134.44 °C TCC
logP (o/w) 6.743 est
Solubility
alcohol Yes
water, 0.04267 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Fruity
oily, fatty, fruity
Odor strength low
General comment At 100.00 %. faint oily fatty fruity

Occurrences

Potential Uses

Applications
Odor purposes Coconut, Fruit
Flavoring purposes Brandy

Safety Information

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:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for dodecyl isobutyrate usage levels up to:
5.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.17 (μg/capita/day)
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: 9
Click here to view publication 9
average usual ppmaverage maximum ppm
baked goods: -3.00000
beverages(nonalcoholic): -0.50000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: -2.00000
egg products: --
fats / oils: --
fish products: --
frozen dairy: -2.00000
fruit ices: -2.00000
gelatins / puddings: -2.00000
granulated sugar: --
gravies: --
hard candy: --
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: --
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):

Flavouring Group Evaluation 1, Revision 1 (FGE.01Rev 1): Branched-chain aliphatic saturated aldehydes, carboxylic acids and related esters of primary alcohols and branched-chain carboxylic acids from chemical groups 1 and 2 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission
View page or View pdf

Flavouring Group Evaluation 01 Rev2 (FGE.01 Rev2): Branched-chain aliphatic saturated aldehydes, carboxylic acids and related esters of primary alcohols and branched-chain carboxylic acids from chemical groups 1 and 2
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):6624-71-1
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :243691
National Institute of Allergy and Infectious Diseases:Data
dodecyl 2-methylpropanoate
Chemidplus:0006624711