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

heliotropyl isobutyrate
piperonyl isobutyrate

Sponsors

Name:1,3-benzodioxol-5-ylmethyl 2-methylpropanoate
CAS Number: 5461-08-5Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:226-745-3
FDA UNII:Y8HBR1ACYA
Nikkaji Web:J208.651D
MDL:MFCD00005826
CoE Number:305
XlogP3:2.70 (est)
Molecular Weight:222.24038000
Formula:C12 H14 O4
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:895 piperonyl isobutyrate
FLAVIS Number:09.430 (Old)
DG SANTE Food Flavourings:09.430 piperonyl isobutyrate
FEMA Number:2913 piperonyl isobutyrate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: PIPERONYL ISOBUTYRATE
FDA Regulation:
FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION
Subpart F--Flavoring Agents and Related Substances
Sec. 172.515 Synthetic flavoring substances and adjuvants.
 
Physical Properties:
Appearance:colorless to yellow clear oily liquid (est)
Assay: 96.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.15800 to 1.16100 @ 20.00 °C.
Pounds per Gallon - (est).: 9.647 to 9.672
Refractive Index:1.51000 to 1.51200 @ 20.00 °C.
Boiling Point: 91.00 to 92.00 °C. @ 0.05 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure:0.000006 mm/Hg @ 25.00 °C. (est)
Flash Point: 235.00 °F. TCC ( 112.78 °C. )
logP (o/w): 2.802 (est)
Soluble in:
 alcohol
 water, very slightly
 water, 82.97 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: fruity
Odor Strength:medium
Substantivity:70 hour(s) at 100.00 %
fruity berry jammy plum tropical heliotrope powdery
Odor Description:at 100.00 %. fruity berry jam plum tropical heliotrope powdery
Luebke, William tgsc, (2009)
Odor sample from: Alfrebro LLC
Flavor Type: fruity
sweet fruity tropical boysenberry berry plum apricot bubble gum
Taste Description: sweet fruity tropical boysenberry berry plum apricot bubble gum
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Alfrebro
PIPERONYL ISOBUTYRATE
Odor: Fruity, berry, jam
BOC Sciences
For experimental / research use only.
Piperonyl isobutyrate
Inoue Perfumery
PIPERONYL ISOBUTYRATE
Penta International
PIPERONYL ISOBUTYRATE, Kosher
Santa Cruz Biotechnology
For experimental / research use only.
Piperonyl isobutyrate
Sigma-Aldrich
Piperonyl isobutyrate, ≥98%, FG
Certified Food Grade Products
Synerzine
Piperonyl Isobutyrate
TCI AMERICA
For experimental / research use only.
Piperonyl Isobutyrate
 
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
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
 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
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
 
References:
 1,3-benzodioxol-5-ylmethyl 2-methylpropanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:5461-08-5
Pubchem (cid):62580
Pubchem (sid):135021011
 
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 Everything Added to Food in the United States (EAFUS):View
HMDB (The Human Metabolome Database):HMDB37130
FooDB:FDB016124
Export Tariff Code:2932.99.7000
ChemSpider:View
 
Potential Blenders and core components note
For Odor
No odor group found for these
(E)-5-
nonen-2-one
FL/FR
acidic
acidic
2-
ethyl butyric acid
FL/FR
2-
methyl-2-pentenoic acid
FL/FR
alliaceous
methyl furfuryl disulfide
FL/FR
amber
ambrette seed absolute
FL/FR
balsamic
conifer acetate
FR
ethyl cinnamate
FL/FR
guaiyl butyrate
FR
linalyl cinnamate
FL/FR
pine needle absolute
FL/FR
iso
propyl cinnamate
FL/FR
berry
blackberry infusions
FL/FR
blackberry specialty
FR
blueberry fragrance
FR
blueberry infusions
FL/FR
black
currant fragrance
FR
currant fragrance
FR
black
currant infusions
FL/FR
gooseberry fragrance
FR
huckleberry fragrance
FR
methyl beta-ionyl acetate
FR
raspberry essence
FL/FR
black
raspberry fragrance
FR
raspberry infusions
FL/FR
raspberry ketone
FL/FR
raspberry ketone acetate
FL/FR
rubus fruticosus fruit extract
FL/FR
buttery
acetyl butyryl
FL/FR
camphoreous
3-
benzylidene-2-butanone
FL/FR
beta-homo
cyclocitral
FL/FR
caramellic
ethyl maltol
FL/FR
maltol
FL/FR
maltyl isobutyrate
FL/FR
maltyl propionate
FL/FR
ethereal
cyclohexyl formate
FL/FR
propyl formate
FL/FR
fermented
valeraldehyde
FL/FR
floral
para-
anisyl butyrate
FL/FR
citronellyl formate
FL/FR
black
currant bud concrete
FL/FR
beta-
damascenone
FL/FR
alpha-
damascone
FL/FR
dihydro-alpha-ionone
FL/FR
dimethyl benzyl carbinyl butyrate
FL/FR
geranyl propionate
FL/FR
heliotropyl acetate
FL/FR
beta-
ionone
FL/FR
beta-
ionyl acetate
FL/FR
jasmin absolute (from chassis)
FL/FR
jasmin absolute egypt (from concrete)
FL/FR
jasmin absolute italy (from concrete)
FL/FR
lilac pentanol
FL/FR
nerolin fragarol
FL/FR
petitgrain mandarin oil
FL/FR
phenethyl acetate
FL/FR
1-
phenyl propyl butyrate
FL/FR
propyl salicylate
FR
rose carboxylate
FR
styralyl propionate
FL/FR
fruity
acetyl methyl anthranilate
FL/FR
iso
amyl isovalerate
FL/FR
apple crotonate
FR
apple ketal
FL/FR
apricot isobutyrate
FR
benzyl butyrate
FL/FR
benzyl propionate
FL/FR
3-
benzyl-4-heptanone
FL/FR
berry hexanoate
FR
berry pentadienoate
FL/FR
blueberry essence
FL/FR
boysenberry essence
FL/FR
butyl anthranilate
FL/FR
butyl formate
FL/FR
butyl hexanoate
FL/FR
red
currant essence
FL/FR
black
currant essence
FL/FR
cyclohexyl isovalerate
FL/FR
(E)-beta-
damascone
FL/FR
beta-
damascone
FL/FR
(Z)-beta-
damascone
FL/FR
dihydroactinidolide
FL/FR
dimethyl benzyl carbinyl isobutyrate
FR
alpha,alpha-
dimethyl benzyl isobutyrate
FL/FR
etaspirene
FR
ethyl (R)-2-hydroxy-4-methyl pentanoate
FR
ethyl (S)-2-hydroxy-4-methyl pentanoate
FR
ethyl 2-hydroxy-3-methyl valerate
FL/FR
ethyl 4-phenyl butyrate
FL/FR
ethyl methyl-para-tolyl glycidate
FL/FR
filbert hexenone
FL/FR
fruit specialty
FR
hexyl formate
FL/FR
beta-
ionone epoxide
FL/FR
maltyl acetate
FL/FR
maltyl butyrate
FL/FR
methyl 2-methyl valerate
FL/FR
2-
methyl butyl 2-methyl butyrate
FL/FR
neryl propionate
FL/FR
3-
nonen-2-one
FL/FR
osmanthus flower absolute
FL/FR
3-
phenyl propyl isovalerate
FL/FR
plum crotonate
FR
iso
propenyl acetate
FL/FR
propyl isobutyrate
FL/FR
red
raspberry essence
FL/FR
black
raspberry essence
FL/FR
raspberry fragrance
FR
raspberry fruit oil
FR
ribes nigrum fruit extract
FL/FR
ribes rubrum fruit extract
FL/FR
iso
spirene
FR
strawberry glycidate 2
FL/FR
strawberry infusions
FL/FR
styralyl butyrate
FL/FR
4-(para-
tolyl)-2-butanone
FL/FR
tropical thiazole
FL/FR
vanilla carboxylate
FL/FR
green
iso
amyl formate
FL/FR
ethyl (E,Z)-2,4-decadienoate
FL/FR
green note propionate
FL/FR
heptanal dimethyl acetal
FL/FR
heptyl formate
FL/FR
(Z)-3-
hexen-1-yl 2-methyl butyrate
FL/FR
(Z)-3-
hexen-1-yl lactate
FL/FR
marigold pot absolute
FL/FR
methyl octine carbonate
FL/FR
phenoxyethyl isobutyrate
FL/FR
terpinyl propionate
FL/FR
thiogeraniol
FL/FR
herbal
barosma betulina leaf oil
FL/FR
(S)-
campholene acetate
FL/FR
2-
pentyl acetate
FL/FR
viridiflorol
FL/FR
jammy
ethyl 2-methyl-2-pentenoate
FR
mentholic
menthyl acetate racemic
FL/FR
powdery
para-
anisyl acetate
FL/FR
soapy
ambrettolide
FL/FR
spicy
black
currant bud absolute
FL/FR
myrcene
FR
myrtenal
FL/FR
sulfurous
blackberry thiophenone
FL/FR
buchu mercaptan
FL/FR
cassis pentanone
FL/FR
lychee mercaptan acetate
FL/FR
4-
methoxy-2-methyl butane thiol
FL/FR
passiflora acetate
FL/FR
tropical
cis-
galbanum oxathiane
FL/FR
passiflora edulis fruit extract
FL/FR
psidium guajava fruit extract
FL/FR
waxy
ethyl nonanoate
FL/FR
heptyl octanoate
FL/FR
(E)-2-
octen-1-yl butyrate
FL/FR
yeasty
2-
octen-4-one
FL/FR
For Flavor
No flavor group found for these
allyl 2-furoate
FL
allyl tiglate
FL
3-
benzylidene-2-butanone
FL/FR
blackberry thiophenone
FL/FR
butyl formate
FL/FR
2-
butyl-5-ethyl thiophene
FL
dihydroactinidolide
FL/FR
ethyl 2-hydroxy-3-methyl valerate
FL/FR
ethyl 4-phenyl butyrate
FL/FR
2-
hexenal
FL
beta-
ionone epoxide
FL/FR
menthyl acetate racemic
FL/FR
(E)-5-
nonen-2-one
FL/FR
(E)-2-
octen-1-yl butyrate
FL/FR
(E)-2-
octen-4-ol
FL
osmanthus flower absolute
FL/FR
1-
phenyl propyl butyrate
FL/FR
3-
phenyl propyl isovalerate
FL/FR
pine needle absolute
FL/FR
viridiflorol
FL/FR
beta-
damascone
FL/FR
acidic
acidic
2-
ethyl butyric acid
FL/FR
alliaceous
tropical thiazole
FL/FR
anisic
para-
anisyl butyrate
FL/FR
balsamic
ethyl cinnamate
FL/FR
iso
propyl cinnamate
FL/FR
berry
blackberry infusions
FL/FR
blueberry essence
FL/FR
blueberry infusions
FL/FR
black
currant infusions
FL/FR
dihydro-alpha-ionone
FL/FR
maltyl acetate
FL/FR
maltyl butyrate
FL/FR
raspberry essence
FL/FR
raspberry infusions
FL/FR
raspberry ketone
FL/FR
raspberry ketone acetate
FL/FR
rubus fruticosus fruit extract
FL/FR
rubus idaeus fruit extract
FL
caramellic
ethyl maltol
FL/FR
maltol
FL/FR
maltyl propionate
FL/FR
citrus
petitgrain mandarin oil
FL/FR
styralyl propionate
FL/FR
coffee
methyl furfuryl disulfide
FL/FR
cooling
beta-homo
cyclocitral
FL/FR
creamy
acetyl butyryl
FL/FR
dairy
2-
pentyl acetate
FL/FR
ethereal
4-
hexen-3-one
FL
iso
propenyl acetate
FL/FR
fatty
heptyl formate
FL/FR
floral
dimethyl benzyl carbinyl butyrate
FL/FR
heliotropyl acetate
FL/FR
jasmin absolute (from chassis)
FL/FR
jasmin absolute egypt (from concrete)
FL/FR
jasmin absolute italy (from concrete)
FL/FR
fruity
acetyl methyl anthranilate
FL/FR
para-
anisyl acetate
FL/FR
apple ketal
FL/FR
benzyl butyrate
FL/FR
benzyl propionate
FL/FR
3-
benzyl-4-heptanone
FL/FR
berry pentadienoate
FL/FR
boysenberry essence
FL/FR
butyl anthranilate
FL/FR
butyl hexanoate
FL/FR
citronellyl formate
FL/FR
black
currant bud concrete
FL/FR
red
currant essence
FL/FR
black
currant essence
FL/FR
cyclohexyl isovalerate
FL/FR
alpha-
damascone
FL/FR
(Z)-beta-
damascone
FL/FR
(E)-beta-
damascone
FL/FR
alpha,alpha-
dimethyl benzyl isobutyrate
FL/FR
ethyl (E)-2-methyl-2-pentenoate
FL
ethyl 3-oxohexanoate
FL
ethyl methyl-para-tolyl glycidate
FL/FR
filbert hexenone
FL/FR
tropical
fruit flavor
FL
furfuryl isovalerate
FL
2,4-
hexadien-1-ol
FL
kiwi flavor
FL
lilac pentanol
FL/FR
linalyl cinnamate
FL/FR
lychee flavor
FL
2-
mercapto-4-heptanol
FL
3-
mercaptohexyl hexanoate
FL
methyl 2-methyl valerate
FL/FR
2-
methyl butyl 2-methyl butyrate
FL/FR
methyl formate
FL
nerolin fragarol
FL/FR
papaya guava flavor
FL
passion fruit distillates
FL
propyl formate
FL/FR
propyl isobutyrate
FL/FR
red
raspberry essence
FL/FR
black
raspberry essence
FL/FR
ribes nigrum fruit extract
FL/FR
ribes rubrum fruit extract
FL/FR
strawberry glycidate 2
FL/FR
strawberry infusions
FL/FR
styralyl butyrate
FL/FR
4-(para-
tolyl)-2-butanone
FL/FR
vanilla carboxylate
FL/FR
green
iso
amyl formate
FL/FR
iso
amyl isovalerate
FL/FR
cassis pentanone
FL/FR
cyclohexyl formate
FL/FR
ethyl (E,Z)-2,4-decadienoate
FL/FR
cis-
galbanum oxathiane
FL/FR
green note propionate
FL/FR
heptanal dimethyl acetal
FL/FR
(Z)-3-
hexen-1-yl 2-methyl butyrate
FL/FR
(Z)-3-
hexen-1-yl lactate
FL/FR
hexyl formate
FL/FR
marigold pot absolute
FL/FR
methyl octine carbonate
FL/FR
neryl propionate
FL/FR
phenoxyethyl isobutyrate
FL/FR
terpinyl propionate
FL/FR
herbal
barosma betulina leaf oil
FL/FR
honey
phenethyl acetate
FL/FR
jammy
(S)-
campholene acetate
FL/FR
maltyl isobutyrate
FL/FR
juicy
lychee mercaptan acetate
FL/FR
minty
myrtenal
FL/FR
thiogeraniol
FL/FR
oily
3-
nonen-2-one
FL/FR
soapy
ambrettolide
FL/FR
sour
2-
methyl-2-pentenoic acid
FL/FR
spicy
black
currant bud absolute
FL/FR
sulfurous
buchu mercaptan
FL/FR
4-
methoxy-2-methyl butane thiol
FL/FR
methyl 2-(methyl thio) butyrate
FL
methyl thiomethyl butyrate
FL
tropical
3-
mercaptohexyl butyrate
FL
passiflora acetate
FL/FR
passiflora edulis fruit extract
FL/FR
psidium guajava fruit
FL
psidium guajava fruit extract
FL/FR
vegetable
2-
octen-4-one
FL/FR
waxy
ethyl nonanoate
FL/FR
geranyl propionate
FL/FR
heptyl octanoate
FL/FR
winey
valeraldehyde
FL/FR
woody
ambrette seed absolute
FL/FR
beta-
damascenone
FL/FR
beta-
ionone
FL/FR
beta-
ionyl acetate
FL/FR
 
Potential Uses:
FRberry
 fruit jam
 jam
 
Occurrence (nature, food, other):note
 not found in nature
 
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
isobutyric acid 3,4-methylene dioxybenzyl ester
isobutyric acid 3,4-methylenedioxybenzyl ester
isobutyric 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
 
 
Notes:
Flavouring ingredient, not reported in nature
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