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

isoprenyl acetate
acetic acid, 3-methylbut-3-enyl ester

Supplier Sponsors

Name:3-methylbut-3-enyl acetate
CAS Number: 5205-07-2Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:225-996-6
FDA UNII:962IG82H5B
Nikkaji Web:J297.937C
MDL:MFCD00154473
CoE Number:9655
XlogP3-AA:1.80 (est)
Molecular Weight:128.17104000
Formula:C7 H12 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
JECFA Food Flavoring:1269 isoprenyl acetate
FEMA Number:3991 isoprenyl acetate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 3-METHYL-3-BUTENYL ACETATE
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.90400 to 0.91400 @ 25.00 °C.
Pounds per Gallon - (est).: 7.522 to 7.605
Refractive Index:1.41800 to 1.42600 @ 20.00 °C.
Boiling Point: 151.00 to 152.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure:4.459000 mm/Hg @ 25.00 °C. (est)
Flash Point: 134.00 °F. TCC ( 56.67 °C. )
logP (o/w): 1.800 (est)
Soluble in:
 alcohol
 water, 1104 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Strength:medium
Odor Description:at 100.00 %. fruity
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
BOC Sciences
For experimental / research use only.
isoPrenyl Acetate
Parchem
isoprenyl acetate
Penta International
3-METHYL-3-BUTENYL ACETATE
Sigma-Aldrich: Aldrich
For experimental / research use only.
3-Methyl-3-buten-1-yl acetate
WholeChem
Isoprenyl Acetate
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 10 - Flammable.
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
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 37/39 - Wear suitable gloves and eye/face protection.
 
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 isoprenyl acetate usage levels up to:
  1.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 7.30 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 11.00 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 3900 (μg/person/day)
Threshold of Concern:1800 (μg/person/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: 20
 average usual ppmaverage maximum ppm
baked goods: 10.00000100.00000
beverages(nonalcoholic): 0.300003.00000
beverages(alcoholic): 1.5000015.00000
breakfast cereal: 0.300001.50000
cheese: --
chewing gum: 15.00000100.00000
condiments / relishes: --
confectionery froastings: 1.5000010.00000
egg products: 1.5000010.00000
fats / oils: 1.5000010.00000
fish products: --
frozen dairy: 6.0000060.00000
fruit ices: 3.0000030.00000
gelatins / puddings: 3.0000030.00000
granulated sugar: --
gravies: --
hard candy: 5.0000050.00000
imitation dairy: --
instant coffee / tea: 0.600006.00000
jams / jellies: 3.0000030.00000
meat products: --
milk products: 0.6000060.00000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 1.5000015.00000
snack foods: --
soft candy: 3.0000030.00000
soups: --
sugar substitutes: --
sweet sauces: --
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 7.0000035.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 5.0000010.00000
Edible ices, including sherbet and sorbet (03.0): 10.0000050.00000
Processed fruit (04.1): 7.0000035.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 10.0000050.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 5.0000025.00000
Bakery wares (07.0): 10.0000050.00000
Meat and meat products, including poultry and game (08.0): 2.0000010.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 2.0000010.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 5.0000025.00000
Foodstuffs intended for particular nutritional uses (13.0): 10.0000050.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 5.0000025.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 10.0000050.00000
Ready-to-eat savouries (15.0): 20.00000100.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 5.0000025.00000
 
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 62 (FGE.62) Consideration of linear and branched-chain aliphatic unsaturated, unconjugated alcohols, aldehydes, acids, and related esters evaluated by JECFA (61st meeting) structurally related to esters of branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and branched- and straight-chain unsaturated carboxylic acids evaluated by EFSA in FGE.05 (2005) and to straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids, and esters evaluated by EFSA in FGE.06 (2004) (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Flavouring Group Evaluation 62 Rev1 (FGE.62 Rev1): Consideration of of linear and branched-chain aliphatic unsaturated, unconjugated alcohols, aldehydes, acids, and related esters evaluated by JECFA (61st and 68th meeting) structurally related to branched- and straight-chain unsaturated carboxylic acids and esters of these with aliphatic saturated alcohols evaluated by EFSA in FGE.05Rev2 (2010) and to straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids, and esters evaluated by EFSA in FGE.06Rev1 (2008)
View page or View pdf

EPI System: View
EPA Substance Registry Services (TSCA):5205-07-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :78879
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
3-methylbut-3-enyl acetate
Chemidplus:0005205072
 
References:
 3-methylbut-3-enyl acetate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:5205-07-2
Pubchem (cid):78879
Pubchem (sid):135033839
Pherobase:View
 
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):HMDB32391
FooDB:FDB009819
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
No odor group found for these
(E+Z)-4,8-
dimethyl-3,7-nonadien-2-one
FL/FR
(Z)-8-
tetradecenal
FL/FR
aldehydic
aldehydic
(Z)-4-
dodecenal
FL/FR
balsamic
benzyl cinnamate
FL/FR
cinnamyl formate
FL/FR
citrus
2-
dodecanone
FL/FR
2-
heptanol
FL/FR
fatty
butyl undecylenate
FL/FR
4-
ethyl octanoic acid
FL/FR
fermented
methyl decanoate
FL/FR
floral
iso
amyl angelate
FL/FR
alpha-
amyl cinnamaldehyde
FL/FR
benzyl acetate
FL/FR
benzyl acetoacetate
FL/FR
benzyl formate
FL/FR
citronellyl acetate
FL/FR
citronellyl butyrate
FL/FR
citronellyl hexanoate
FL/FR
citronellyl propionate
FL/FR
(E)-
citronellyl tiglate
FL/FR
dihydrojasmone
FL/FR
dimethyl benzyl carbinyl acetate
FL/FR
geraniol
FL/FR
menthadienyl formate
FR
ortho-
methoxybenzyl ethyl ether
FR
methoxymelonal
FL/FR
methyl benzyl acetate (mixed ortho-,meta-,para-)
FL/FR
alpha-iso
methyl ionone (90% min.)
FL/FR
methyl ionyl acetate
FL/FR
neryl isovalerate
FL/FR
3-
nonanon-1-yl acetate
FL/FR
orris rhizome concrete butter (iris pallida)
FL/FR
petitgrain lemon oil
FL/FR
phenethyl isobutyrate
FL/FR
phenethyl isovalerate
FL/FR
1-
phenyl propyl butyrate
FL/FR
2-
phenyl propyl isobutyrate
FL/FR
4-
phenyl-3-buten-2-ol
FL/FR
iso
propyl benzoate
FL/FR
rose undecene
FR
star fruit oil cuba
FL/FR
terpinyl formate
FL/FR
terpinyl valerate
FL/FR
tetrahydroionyl acetate
FR
(E)-2,5,9-
trimethyl-4,9-decadien-1-al
FR
fruity
iso
amyl 2-methyl butyrate
FL/FR
benzaldehyde / methyl anthranilate schiff's base
FR
berry hexanoate
FR
iso
butyl anthranilate
FL/FR
iso
butyl furyl propionate
FL/FR
citronellyl isobutyrate
FL/FR
(E)-beta-
damascone
FL/FR
beta-
damascone
FL/FR
(Z)-beta-
damascone
FL/FR
ethyl isobutyrate
FL/FR
ethyl levulinate
FL/FR
heptanal cyclic ethylene acetal
FR
heptyl isobutyrate
FL/FR
3-
mercaptohexyl acetate
FL/FR
methyl (Z)-3-hexenoate
FL/FR
methyl acetoacetate
FL/FR
methyl isobutyrate
FL/FR
(E)-7-
methyl-3-octen-2-one
FL/FR
iso
propyl isobutyrate
FL/FR
rhubarb pyran
FR
4-(para-
tolyl)-2-butanone
FL/FR
tropical ionone
FL/FR
(E)-2-
undecenal
FL/FR
green
iso
amyl 3-(2-furan) propionate
FL/FR
citrus carbaldehyde / methyl anthranilate schiff's base
FR
green carboxylate
FR
(Z)-3-
hexen-1-yl isovalerate
FL/FR
hexoxyacetaldehyde dimethyl acetal
FR
herbal
chamomile isobutyrate
FR
chamomile propionate
FR
chamomile valerate
FR
clary propyl acetate
FR
methyl cyclogeranate (Firmenich)
FR
(1S,5R)-
myrtenyl acetate
FL/FR
powdery
alpha-
methyl ionone
FL/FR
spicy
para-
anisyl formate
FL/FR
waxy
3-
decanone
FL/FR
woody
2-
decalinyl acetate
FR
For Flavor
No flavor group found for these
1-
acetyl cyclohexyl acetate
FL
amyl angelate
FL
iso
amyl angelate
FL/FR
2-
butyl thiophene
FL
beta-
cubebene
FL
3-
decanone
FL/FR
2,4-
difurfuryl furan
FL
dihydronootkatone
FL
S-(2,5-
dimethyl-3-furyl) ethane thioate
FL
(E+Z)-4,8-
dimethyl-3,7-nonadien-2-one
FL/FR
(Z)-4-
dodecenal
FL/FR
methyl acetoacetate
FL/FR
methyl benzyl acetate (mixed ortho-,meta-,para-)
FL/FR
3-
octyl butyrate
FL
1-
phenyl propyl butyrate
FL/FR
2-
phenyl propyl isobutyrate
FL/FR
iso
propyl benzoate
FL/FR
iso
propyl isobutyrate
FL/FR
(Z)-8-
tetradecenal
FL/FR
iso
amyl 3-(2-furan) propionate
FL/FR
benzyl acetoacetate
FL/FR
iso
butyl furyl propionate
FL/FR
beta-
damascone
FL/FR
berry
berry
heptyl isobutyrate
FL/FR
burnt
ethyl 2-furoate
FL
citrus
dehydronootkatone
FL
petitgrain lemon oil
FL/FR
ethereal
ethyl isobutyrate
FL/FR
methyl isobutyrate
FL/FR
fatty
2-
dodecanone
FL/FR
4-
ethyl octanoic acid
FL/FR
methyl decanoate
FL/FR
(E)-7-
methyl-3-octen-2-one
FL/FR
floral
citronellyl acetate
FL/FR
citronellyl hexanoate
FL/FR
citronellyl propionate
FL/FR
dihydrojasmone
FL/FR
dimethyl benzyl carbinyl acetate
FL/FR
geraniol
FL/FR
alpha-iso
methyl ionone (90% min.)
FL/FR
orris rhizome concrete butter (iris pallida)
FL/FR
tropical ionone
FL/FR
fruity
iso
amyl 2-methyl butyrate
FL/FR
benzyl acetate
FL/FR
benzyl formate
FL/FR
iso
butyl anthranilate
FL/FR
citronellyl butyrate
FL/FR
citronellyl isobutyrate
FL/FR
(E)-beta-
damascone
FL/FR
(Z)-beta-
damascone
FL/FR
ethyl levulinate
FL/FR
2-
heptanol
FL/FR
2-
hexyl-4-acetoxytetrahydrofuran
FL
methoxymelonal
FL/FR
methyl (Z)-3-hexenoate
FL/FR
methyl 4-phenyl butyrate
FL
alpha-
methyl ionone
FL/FR
neryl isovalerate
FL/FR
3-
nonanon-1-yl acetate
FL/FR
phenethyl isovalerate
FL/FR
2-
phenyl-4-pentenal
FL
star fruit oil cuba
FL/FR
terpinyl formate
FL/FR
terpinyl valerate
FL/FR
4-(para-
tolyl)-2-butanone
FL/FR
green
(E)-
citronellyl tiglate
FL/FR
(Z)-3-
hexen-1-yl isovalerate
FL/FR
honey
phenethyl isobutyrate
FL/FR
spicy
para-
anisyl formate
FL/FR
benzyl cinnamate
FL/FR
cinnamyl formate
FL/FR
tropical
alpha-
amyl cinnamaldehyde
FL/FR
3-
mercaptohexyl acetate
FL/FR
waxy
butyl undecylenate
FL/FR
4-
phenyl-3-buten-2-ol
FL/FR
(E)-2-
undecenal
FL/FR
woody
methyl ionyl acetate
FL/FR
(1S,5R)-
myrtenyl acetate
FL/FR
 
Potential Uses:
FRfruit
 
Occurrence (nature, food, other):note
 nectarine
Search PMC Picture
 penpino fruit
Search PMC Picture
 pineapple fruit
Search Trop Picture
 ylang ylang oil I (cananga odorata hook. f. and thomas.) @ 0.42%
Data GC Search Trop Picture
 ylang ylang oil II (cananga odorata hook. f. and thomas.) @ 0.04%
Data GC Search Trop Picture
 ylang ylang oil III @ 0.01%
Data GC Search Trop Picture
 
Synonyms:
 acetic acid 3-methyl but-3-enyl ester
 acetic acid, 3-methylbut-3-enyl ester
3-buten-1-ol, 3-methyl-, acetate
3-methyl but-3-enyl acetate
3-methyl-3-buten-1-ol acetate
3-methyl-3-buten-1-ol, acetate
3-methyl-3-buten-1-yl acetate
3-methyl-3-butenyl acetate
3-methylbut-3-en-1-yl acetate
3-methylbut-3-ene-1-ol acetate
3-methylbut-3-enyl acetate
3-isopentenyl acetate
isoprenyl acetate
isoprenylacetate
 
 
Notes:
Used as a food additive [EAFUS]
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