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heliotropyl acetone

Chemical Structure

General Material Information

Preferred name heliotropyl acetone
Trivial Name Dulcinyl
Short Description dulcinyl (IFF)
Formula C11 H12 O3
CAS Number 55418-52-5
FEMA Number 2701
Flavis Number 7.031
ECHA Number 259-630-1
FDA UNII 081VVC9H34
Nikkaji Number J55.487A
MDL MFCD00016910
COE Number 165
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 2048 4-(3,4-methylenedioxyphenyl)-2-butanone
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 55418-52-5 ; 4-(3,4-METHYLENEDIOXYPHENYL)-2-BUTANONE
Synonyms
  • 4-benzo[1,3]dioxol-5-yl-butan-2-one
  • 4-(2H- benzo[3,4-d]1,3-dioxolan-5-yl)butan-2-one
  • 4-( benzo[d][1,3]dioxol-5-yl)butan-2-one
  • 4-(1,3-benzodioxol-5-yl) butan-2-one
  • 4-(1,3-benzodioxol-5-yl)-2-butanone
  • 4-(1,3-benzodioxol-5-yl)butan-2-one
  • 2-butanone, 4-(1,3-benzodioxol-5-yl)-
  • 2-butanone, 4-(3,4-(methylenedioxy)phenyl)-
  • 2-butanone, 4-[3,4-(methylenedioxy)phenyl]-
  • dulcinyl (IFF)
  • dulcinyl acetone
  • dulcinyl recrystallized (IFF)
  • dulcinyl recrystalsalicylatelized (IFF)
  • heliotropin acetone
  • heliotropinone
  • 4-(3,4-methylene dioxyphenyl)-2-butanone
  • 3,4-( methylenedioxy)benzylacetone
  • 4-(3,4-( methylenedioxy)phenyl)-2-butanone
  • 4-[3,4-( methylenedioxy)phenyl]-2-butanone
  • 3,4-methylenedioxybenzylacetone
  • 4-(3,4-methylenedioxyphenyl)-2-butanone
  • piperonal acetone
  • piperonyl acetone
  • piperonylacetone
  • 4-(1,3-benzodioxol-5-yl)butan-2-one
  • 2-Butanone, 4-(1,3-benzodioxol-5-yl)-
  • 2-Butanone, 4-[3,4-(methylenedioxy)phenyl]-
  • 4-(1,3-Benzodioxol-5-yl)-2-butanone
  • 4-(3,4-Methylenedioxyphenyl)-2-butanone
  • 5-(3-Oxobutyl)-1,3-benzodioxole
  • Dulcinyl
  • NSC 405365
  • Cassione
  • 4-(Benzo[d][1,3]dioxol-5-yl)butan-2-one

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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
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB41481
FooDB:FDB021444
Export Tariff Code:2914.19.0000
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
FAO:4-(3,4-Methylenedioxyphenyl)-2-butanone

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 192.21423339844
Melting Point 47 to 54°C @ 760 mm Hg
Vapor Pressure 0.002 mmHg @ 25 °C
Flash Point TCC Value 110 °C TCC
logP (o/w) 1.148
Shelf life 36 months (or longer if stored properly.)
Storage notes Store in cool, dry place in tightly sealed containers, protected from heat and light.
Solubility
alcohol Yes
water, 892.1 mg/L @ 25 °C (est) Yes
water No
Stability
acid cleaner Unspecified
alcoholic lotion Unspecified
antiperspirant Unspecified
deo stick Unspecified
detergent Unspecified
fabric softener Unspecified
hard surface cleaner Unspecified
shampoo Unspecified
soap Unspecified
vleach Unspecified

Organoleptic Properties

Odor Type: Floral
sweet, raspberry, heliotrope, powdery, cotton candy, floral, berry, fruity, jammy
Odor strength medium , recommend smelling in a 10.00 % solution or less
Substantivity 400 hour(s) at 100.00 %
Luebke, William tgsc, (1991) At 10.00 % in dipropylene glycol. sweet raspberry heliotrope powdery cotton candy
Mosciano, Gerard P&F 20, No. 2, 37, (1995) Sweet, powdery, floral, berry and fruity with a jammy nuance
Flavor Type: Berry
sweet, berry, spicy, jammy
Mosciano, Gerard P&F 20, No. 2, 37, (1995) At 40.00 ppm. Sweet, berry-like with spicy, jammy nuances
General comment Sweet aromatic, somewhat fruity on dilution; berry-like with spicy and jammy nuances

Occurrences

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:
oral-rat LD50 4000 mg/kg

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg

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 acetone usage levels up to:
15.0000 % in the fragrance concentrate.
Structure Class: III
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: -40.00000
beverages(nonalcoholic): -8.20000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -45.00000
fruit ices: -45.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -40.00000
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

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):55418-52-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :62098
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
4-(1,3-benzodioxol-5-yl)butan-2-one
Chemidplus:0055418525