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heliotropyl isobutyrate

Chemical Structure

General Material Information

Preferred name heliotropyl isobutyrate
Trivial Name Piperonyl isobutyrate
Short Description piperonyl isobutyrate
Formula C12 H14 O4
CAS Number 5461-08-5
FEMA Number 2913
Flavis Number 9.43
ECHA Number 226-745-3
FDA UNII Y8HBR1ACYA
Nikkaji Number J208.651D
MDL MFCD00005826
COE Number 305
NMR Predictor External link
JECFA Food Flavoring 895 piperonyl isobutyrate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 5461-08-5 ; PIPERONYL ISOBUTYRATE
Synonyms
  • 2H- benzo[3,4-d]1,3-dioxolen-5-ylmethyl 2-methylpropanoate
  • 1,3-benzodioxol-5-yl methyl isobutyrate
  • 1,3-benzodioxol-5-ylmethyl 2-methylpropanoate
  • 1,3-benzodioxol-5-ylmethyl isobutyrate
  • iso butyric acid 3,4-methylene dioxybenzyl ester
  • iso butyric acid 3,4-methylenedioxybenzyl ester
  • iso butyric acid piperonyl ester
  • heliotropin isobutyrate
  • heliotropyl 2-methyl propanoate
  • heliotropyl 2-methylpropanoate
  • 2-methyl propanoic acid 1,3-benzodioxol-5-yl methyl ester
  • 3,4-methylene dioxybenzyl 2-methyl propanoate
  • 3,4-methylenedioxybenzyl 2-methylpropanoate
  • 3,4-methylenedioxybenzyl isobutyrate
  • piperonal isobutyrate
  • piperonyl 2-methyl propanoate
  • piperonyl 2-methylpropanoate
  • piperonyl isobutyrate
  • piperonylisobutyrate
  • propanoic acid, 2-methyl-, 1,3-benzodioxol-5-ylmethyl ester
  • 1,3-benzodioxol-5-ylmethyl 2-methylpropanoate
  • Isobutyric acid, piperonyl ester
  • NSC 23947

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

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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):HMDB37130
FooDB:FDB016124
Export Tariff Code:2932.99.7000
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 222.24038696289
Specific gravity @ 20 °C
Pounds per Gallon 9.647 to 9.672
Refractive Index 1.51 to 1.512 @ 20 °C
Boiling Point 91 to 92°C @ 0.05 mm Hg
Acid Value 1 max KOH/g
Vapor Pressure 6.0E-6 mmHg @ 25 °C
Flash Point TCC Value 112.78 °C TCC
logP (o/w) 2.802 est
Solubility
alcohol Yes
water, very slightly Yes
water, 82.97 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Fruity
fruity, berry, jammy, plum, tropical, heliotrope, powdery
Odor strength medium
Substantivity 70 hour(s) at 100.00 %
Luebke, William tgsc, (2009) At 100.00 %. fruity berry jam plum tropical heliotrope powdery
Flavor Type: Fruity
sweet, fruity, tropical, boysenberry, berry, plum, apricot, bubble gum
Luebke, William tgsc, (2009) Sweet fruity tropical boysenberry berry plum apricot bubble gum

Potential Uses

Applications
Odor purposes Berry
Other purposes Fruit jam, Jam

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
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 heliotropyl isobutyrate usage levels up to:
8.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.085 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 3.00 (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: 3
Click here to view publication 3
average usual ppmaverage maximum ppm
baked goods: 0.100003.50000
beverages(nonalcoholic): 0.050001.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -0.05000
fruit ices: -0.05000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 0.050003.50000
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):

Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) on a request from the Commission related to Flavouring Group Evaluation 20 (FGE.20): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical group 23
View page or View pdf

Flavouring Group Evaluation 52 (FGE.52): Consideration of hydroxy- and alkoxy-substituted benzyl derivatives evaluated by JECFA (57th meeting) structurally related to benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters evaluated by EFSA in FGE.20 (2005) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - 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 20, Revision 1 (FGE.20Rev1): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters from chemical group 23
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 20, Revision 2 (FGE.20Rev2): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 20, Revision 3(FGE.20Rev3): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):5461-08-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :62580
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
1,3-benzodioxol-5-ylmethyl 2-methylpropanoate
Chemidplus:0005461085