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

dodecyl isobutyrate
isobutyric acid, dodecyl ester

Supplier Sponsors

Name:dodecyl 2-methylpropanoate
CAS Number: 6624-71-1Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:229-583-1
FDA UNII:02470X34WD
Nikkaji Web:J225.220A
CoE Number:10563
XlogP3:6.60 (est)
Molecular Weight:256.42944000
Formula:C16 H32 O2
NMR Predictor:Predict (works with chrome or firefox)
Category:flavor and fragrance 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:193 dodecyl isobutyrate
FLAVIS Number:09.523 (Old)
DG SANTE Food Flavourings:09.523 dodecyl isobutyrate
FEMA Number:3452 dodecyl isobutyrate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):6624-71-1 ; DODECYL ISOBUTYRATE
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.85400 to 0.86000 @ 20.00 °C.
Pounds per Gallon - (est).: 7.114 to 7.164
Refractive Index:1.43200 to 1.43600 @ 20.00 °C.
Boiling Point: 299.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure:0.001000 mmHg @ 25.00 °C. (est)
Flash Point: 274.00 °F. TCC ( 134.44 °C. )
logP (o/w): 6.743 (est)
Soluble in:
 alcohol
 water, 0.04267 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: fruity
Odor Strength:low
oily fatty fruity
Odor Description:at 100.00 %. faint oily fatty fruity
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Dodecyl Isobutyrate
Inoue Perfumery
DODECYL ISOBUTYRATE
Penta International
DODECYL ISOBUTYRATE, Kosher
Synerzine
Dodecyl Isobutyrate
 
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
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
 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
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
 
References:
 dodecyl 2-methylpropanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:6624-71-1
Pubchem (cid):243691
Pubchem (sid):135264096
 
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
HMDB (The Human Metabolome Database):HMDB36210
FooDB:FDB015068
Export Tariff Code:2915.60.0000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
anisic
amyl furoate
FL/FR
cheesy
2-
methyl hexanoic acid
FL/FR
coffee
furfuryl mercaptan
FL/FR
creamy
gamma-
butyrolactone
FL/FR
fatty
butter esters
FL/FR
(Z)-
ethyl oleate
FL/FR
perilla seed oil
FL/FR
sorbitan oleate
CS
(E,Z,Z)-2,4,7-
tridecatrienal
FL/FR
floral
alpha-
amyl cinnamaldehyde
FL/FR
octanal / methyl anthranilate schiff's base
FR
2-
pentadecanone
FL/FR
fruity
iso
amyl nonanoate
FL/FR
butyl 2-decenoate
FL/FR
(R)-(-)-2-
heptanol
FL/FR
hexyl valerate
FL/FR
octyl octanoate
FL/FR
green
(Z)-3-
hepten-1-ol
FL/FR
(Z)-4-
hepten-1-ol
FL/FR
(Z)-4-
heptenal
FL/FR
neryl butyrate
FL/FR
iso
propyl decanoate
FL/FR
herbal
5-
methyl-3-heptanone
FL/FR
mushroom
(S)-(+)-2-
heptanol
FL/FR
musk
musk nonane
FR
oily
amyl laurate
FL/FR
butter acids
FL/FR
petal pyranone
FL/FR
waxy
delta-
tetradecalactone
FL/FR
woody
nopyl aldehyde
FR
For Flavor
No flavor group found for these
amyl furoate
FL/FR
amyl laurate
FL/FR
(S)-(+)-2-
heptanol
FL/FR
(R)-(-)-2-
heptanol
FL/FR
(Z)-3-
hepten-1-ol
FL/FR
hexyl valerate
FL/FR
5-
methyl hexanoic acid
FL
octyl octanoate
FL/FR
perilla seed oil
FL/FR
iso
propyl decanoate
FL/FR
bitter
bitter
(E,Z,Z)-2,4,7-
tridecatrienal
FL/FR
coffee
furfuryl mercaptan
FL/FR
creamy
butter esters
FL/FR
fatty
butter acids
FL/FR
dimethyl sulfoxide
FL
(Z)-
ethyl oleate
FL/FR
2-
pentadecanone
FL/FR
fruity
butyl 2-decenoate
FL/FR
(E)-2-
decenoic acid
FL
5-
methyl-3-heptanone
FL/FR
green
(Z)-4-
hepten-1-ol
FL/FR
(Z)-4-
heptenal
FL/FR
(E)-2-
heptenal
FL
neryl butyrate
FL/FR
2,4-
octadienal
FL
milky
gamma-
butyrolactone
FL/FR
nutty
arachis hypogaea fruit extract
FL
oily
2-
methyl hexanoic acid
FL/FR
petal pyranone
FL/FR
tropical
alpha-
amyl cinnamaldehyde
FL/FR
waxy
delta-
tetradecalactone
FL/FR
winey
iso
amyl nonanoate
FL/FR
 
Potential Uses:
FLbrandy
FRcoconut
FRfruit
 
Occurrence (nature, food, other):note
 babaco fruit
Search Trop Picture
 
Synonyms:
isobutyric acid dodecyl ester
isobutyric 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
 
 
Notes:
Flavouring agent
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