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

(E)-geranyl 2-ethyl butyrate
dimethyl-2,6-octadien-1-yl 2-ethylbutanoate

Supplier Sponsors

Name:[(2E)-3,7-dimethylocta-2,6-dienyl] 2-ethylbutanoate
CAS Number: 73019-14-4Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:277-234-7
FDA UNII:842I7XQG7D
Nikkaji Web:J309.231C
CoE Number:11667
XlogP3-AA:5.20 (est)
Molecular Weight:252.39756000
Formula:C16 H28 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:78 dimethyl-2,6-octadien-1-yl 2-ethylbutanoate
FLAVIS Number:09.515 (Old)
DG SANTE Food Flavourings:09.515 (E)-geranyl 2-ethylbutyrate
FEMA Number:3339 dimethyl-2,6-octadien-1-yl 2-ethylbutanoate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):73019-14-4 ; 2-TRANS-3,7-DIMETHYLOCTA-2,6-DIENYL 2-ETHYLBUTANOATE
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Equivalence Factor for Assay:126.20
Food Chemicals Codex Listed: No
Specific Gravity:0.88900 to 0.89600 @ 25.00 °C.
Pounds per Gallon - (est).: 7.397 to 7.456
Refractive Index:1.44900 to 1.45800 @ 20.00 °C.
Boiling Point: 286.00 to 288.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.000186 mmHg @ 25.00 °C. (est)
Flash Point: 209.00 °F. TCC ( 98.33 °C. )
logP (o/w): 6.046 (est)
Soluble in:
 alcohol
 water, 0.1083 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Parchem
(E)-geranyl 2-ethyl butyrate
Synerzine
3,7 -Dimethylocta-2,6-dienyl-2-ethylbutanoate
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:
oral-mouse LD50 > 8000 mg/kg
(Pellmont et al., 1968)

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for (E)-geranyl 2-ethyl butyrate usage levels up to:
  6.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.49 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.00 (μg/capita/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: 6
 average usual ppmaverage maximum ppm
baked goods: -100.00000
beverages(nonalcoholic): -10.00000
beverages(alcoholic): -40.00000
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -40.00000
fruit ices: -40.00000
gelatins / puddings: -50.00000
granulated sugar: --
gravies: --
hard candy: -75.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: -50.00000
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):

Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 6 (FGE.06): Straight-and branched-chain aliphatic unsatured primary alcohols, aldehydes, carboxylic acids, and esters from chemical groups 1 and 4
View page or View pdf

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 202: 3-Alkylated aliphatic acyclic alpha,beta-unsaturated aldehydes and precursors with or without additional double bonds from chemical subgroup 1.1.3 of FGE.19[1]
View page or View pdf

EPI System: View
EPA Substance Registry Services (TSCA):73019-14-4
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :5362579
National Institute of Allergy and Infectious Diseases:Data
[(2E)-3,7-dimethylocta-2,6-dienyl] 2-ethylbutanoate
Chemidplus:0073019144
 
References:
 [(2E)-3,7-dimethylocta-2,6-dienyl] 2-ethylbutanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):5362579
Pubchem (sid):135267727
 
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):HMDB38255
FooDB:FDB017549
Export Tariff Code:2915.60.0000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
caramellic
maltyl isobutyrate
FL/FR
floral
phenethyl acetate
FL/FR
fruity
tropical indene
FR
tropical ionone
FL/FR
tropical thiazole
FL/FR
green
ethyl (E,Z)-2,4-decadienoate
FL/FR
heptanal dimethyl acetal
FL/FR
1-
penten-3-ol
FL/FR
herbal
viridiflorol
FL/FR
sulfurous
buchu mercaptan
FL/FR
cassis pentanone
FL/FR
passiflora acetate
FL/FR
tropical
tropical 3-thiobutyrate
FL/FR
For Flavor
No flavor group found for these
ethyl 3-octenoate
FL
viridiflorol
FL/FR
alliaceous
alliaceous
tropical thiazole
FL/FR
floral
tropical ionone
FL/FR
green
cassis pentanone
FL/FR
ethyl (E,Z)-2,4-decadienoate
FL/FR
heptanal dimethyl acetal
FL/FR
1-
penten-3-ol
FL/FR
honey
phenethyl acetate
FL/FR
jammy
maltyl isobutyrate
FL/FR
sulfurous
buchu mercaptan
FL/FR
methyl 2-(methyl thio) butyrate
FL
methyl thiomethyl butyrate
FL
tropical 3-thiobutyrate
FL/FR
tropical
passiflora acetate
FL/FR
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 geranium
Search Trop Picture
 
Synonyms:
 butanoic acid, 2-ethyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester
 butanoic acid, 2-ethyl-, 3,7-dimethyl-2,6-octadienyl ester, (E)-
(E)-3,7-dimethyl octa-2,6-dienyl 2-ethyl butanoate
(E)-dimethyl octa-2,6-dienyl 2-ethyl butyrate
 dimethyl-2,6-octadien-1-yl 2-ethylbutanoate
(E)-dimethyl-2,6-octadienyl 2-ethyl butyrate
3,7-dimethyl-2,6-octadienyl 2-ethylbutanoate, (E)-
3,7-dimethylocta-2,6-dienyl 2-ethylbutanoate
(E)-3,7-dimethylocta-2,6-dienyl 2-ethylbutyrate
3,7-dimethylocta-2,6-dienyl 2-ethylbutyrate
3,7 -dimethylocta-2,6-dienyl-2-ethylbutanoate
[(2E)-3,7-dimethylocta-2,6-dienyl] 2-ethylbutanoate
(E)-geranyl 2-ethylbutyrate
(E)-neryl 2-ethyl butyrate
 
 
Notes:
Flavouring ingredient
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