isopropenyl acetate
prop-1-en-2-yl acetate
 
Notes:
Used as a food additive [EAFUS]
  • Penta International
    • Penta International Corporation
      Chemistry innovation
      At Penta, our products and services help businesses do business better.
      For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes.
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      Product(s):
      09-52400 ISOPROPENYL ACETATE, Kosher, Halal
       
  • TCI AMERICA
    • TCI AMERICA
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      We continuously strive to advance our technology.
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      Product(s):
      A0035 isopropenyl acetate >98.0%(GC)
       
Synonyms   Articles   Notes   Search
prop-1-en-2-yl acetate (Click)
CAS Number: 108-22-5Picture of molecule
ECHA EINECS - REACH Pre-Reg: 203-562-7
FDA UNII: 4AR9LAS337
Nikkaji Web: J35.907F
Beilstein Number: 1280347
MDL: MFCD00008709
XlogP3-AA: 1.00 (est)
Molecular Weight: 100.11716000
Formula: C5 H8 O2
BioActivity Summary: listing
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: 1835  isopropenyl acetate
Flavis Number: 09.822 (Old)
DG SANTE Food Flavourings: 09.822  isopropenyl acetate
FEMA Number: 4152  isopropenyl acetate
FDA Mainterm: ISOPROPENYL ACETATE
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Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.91700 to 0.92300 @  25.00 °C.
Pounds per Gallon - (est).: 7.630 to  7.680
Refractive Index: 1.39700 to 1.40300 @  20.00 °C.
Boiling Point: 94.00 to  95.00 °C. @ 760.00 mm Hg
Vapor Pressure: 42.505001 mm/Hg @ 25.00 °C. (est)
Flash Point: 66.00 °F. TCC ( 18.89 °C. )
logP (o/w): 1.048 (est)
Soluble in:
 alcohol
 propylene glycol
 water, 9522 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor Type: fruity
Odor Strength: medium ,
recommend smelling in a 10.00 % solution or less
 ethereal  acetic  fruity  sweet  berry  grape skin  
Odor Description:
at 100.00 %. 
ethereal acetic fruity sweet berry grape skin
Luebke, William tgsc, (2006)
 ethereal  grape skin  sauerkraut  green  
Taste Description:
at 25.00 ppm in water.  
ethereal lactate grape skin sauerkraut green
Luebke, William tgsc, (2006)
Substantivity: < 1 hour(s) at 100.00 %
  
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Cosmetic Information:
None found
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Suppliers:
EMD Millipore
For experimental / research use only.
isoPropenyl Acetate
Parchem
isopropenyl acetate
Penta International
ISOPROPENYL ACETATE, Kosher, Halal
Sigma-Aldrich: Aldrich
For experimental / research use only.
isoPropenyl Acetate 99%
TCI AMERICA
For experimental / research use only.
isopropenyl acetate >98.0%(GC)
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Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 11 - Highly flammable.
R 36/37 - Irritating to eyes and respiratory system.
S 02 - Keep out of the reach of children.
S 09 - Keep container in a well-ventilated place.
S 16 - Keep away from sources of ignition - No Smoking.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 29 - Do not empty into drains.
S 33 - Take precautionary measures against static discharge.
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  3000 mg/kg
Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 60, 1949.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for isopropenyl acetate usage levels up to:
  0.1000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 19.00 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 2300 (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: 22
Click here to view publication 22
 average usual ppmaverage maximum ppm
baked goods: 10.0000050.00000
beverages(nonalcoholic): 5.0000025.00000
beverages(alcoholic): --
breakfast cereal: 5.0000025.00000
cheese: 7.0000035.00000
chewing gum: --
condiments / relishes: 5.0000025.00000
confectionery froastings: 10.0000050.00000
egg products: --
fats / oils: 5.0000025.00000
fish products: 2.0000010.00000
frozen dairy: 7.0000035.00000
fruit ices: 10.0000050.00000
gelatins / puddings: 5.0000025.00000
granulated sugar: --
gravies: 20.00000100.00000
hard candy: --
imitation dairy: 7.0000035.00000
instant coffee / tea: --
jams / jellies: 5.0000025.00000
meat products: 2.0000010.00000
milk products: 7.0000035.00000
nut products: --
other grains: 5.0000025.00000
poultry: 2.0000010.00000
processed fruits: 7.0000035.00000
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 5.0000025.00000
snack foods: 10.0000050.00000
soft candy: --
soups: 5.0000025.00000
sugar substitutes: --
sweet sauces: 5.0000025.00000
 
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): 5.0000025.00000
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): --
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
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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):
Scientific Opinion on Flavouring Group Evaluation 95 (FGE.95): Consideration of aliphatic, linear or branched-chain saturated and unsaturated alcohols, aldehydes, acids and related esters evaluated by JECFA (69th 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.05Rev1 (2008)
View page or View pdf
EPI System: View
NLM Hazardous Substances Data Bank: Search
Chemical Carcinogenesis Research Information System: Search
EPA Substance Registry Services (TSCA): 108-22-5
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 7916
National Institute of Allergy and Infectious Diseases: Data
WISER: UN 2403
WGK Germany: 1
 prop-1-en-2-yl acetate
Chemidplus: 0000108225
EPA/NOAA CAMEO: hazardous materials
RTECS: UD4200000 for cas# 108-22-5
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References:
 prop-1-en-2-yl acetate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 108-22-5
Pubchem (cid): 7916
Pubchem (sid): 134972897
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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
CHEMBL: View
HMDB (The Human Metabolome Database): HMDB32351
FooDB: FDB009648
Export Tariff Code: 2915.39.5000
Haz-Map: View
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Wikipedia: View
RSC Learn Chemistry: View
Read: Under the conditions of intended use - New developments in the FEMA GRAS program and the safety assessment of flavor ingredients
Read: A GRAS assessment program for flavor ingredients
Read: Sensory testing for flavorings with modifying properties. Food Technology
Read: Criteria for the safety evaluation of flavoring substances
Read: A procedure for the safety evaluation of natural flavor complexes used as ingredients in food: essential oils
Read: FEMA Expert Panel: 30 Years of safety evaluation for the flavor industry
Read: Consumption ratio and food predominance of flavoring materials
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Potential Blenders and core components note
 
For Odor
alliaceous
 methyl furfuryl disulfideFL/FR
amber
 ambrette seed absoluteFL/FR
balsamic
 phenyl salicylateFR
camphoreous
alpha-campholenic alcoholFL/FR
caramellic
 maltyl isobutyrateFL/FR
chemical
isobutyl formateFL/FR
 ethyl acetateFL/FR
 ethyl pyruvateFL/FR
 methyl acetateFL/FR
 methyl ethyl ketoneFL/FR
2-methyl valeraldehydeFL/FR
isopropyl acetateFL/FR
 propyl formateFL/FR
fatty
(S)-gamma-heptalactone 
floral
alpha-damasconeFL/FR
beta-iononeFL/FR
 nerolin fragarolFL/FR
 rose carboxylateFR
 rose undeceneFR
 tea acetateFR
 tuberose acetateFR
fruity
isoamyl decanoateFL/FR
 amyl formateFL/FR
 amyl heptanoateFL/FR
isoamyl hexanoateFL/FR
 amyl hexanoateFL/FR
3-benzyl-4-heptanoneFL/FR
 butyl hexanoateFL/FR
isobutyl isobutyrateFL/FR
 cyclohexyl crotonateFR
 ethyl 2-hydroxy-3-methyl valerateFL/FR
2-ethyl butyl 2-butenoate 
2-ethyl butyl acetateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
1-ethyl-2-methyl propyl 3-butenoate 
 heliotropyl isobutyrateFL/FR
beta-ionone epoxideFL/FR
 methyl 2-methyl valerateFL/FR
 neryl propionateFL/FR
2-nonanoneFL/FR
3-nonen-2-oneFL/FR
isooctyl acetateFR
 osmanthus flower absoluteFL/FR
 propyl butyrateFL/FR
 styralyl butyrateFL/FR
1,3,4-trimethyl pentyl 2-butenoate 
1,2,2-trimethyl propyl 2-butenoate 
 tropical indeneFR
 vanilla carboxylateFL/FR
green
 acetaldehyde benzyl 2-methoxyethyl acetalFL/FR
 green carboxylateFR
(Z)-3-hexen-1-yl 2-methyl butyrateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
3-hexenyl 2-methyl butyrateFL/FR
 hexoxyacetaldehyde dimethyl acetalFR
 thiogeraniolFL/FR
herbal
9-acetyl-5-methyl-tricyclo[6.2.1.0.sup.2,7 ]undec-4-ene 
 marigold oil mexicoFL/FR
mentholic
 menthyl acetate racemicFL/FR
musk
 musk decanolideFR
naphthyl
beta-naphthyl ethyl etherFL/FR
soapy
 ambrettolideFL/FR
sulfurous
 blackberry thiophenoneFL/FR
 buchu mercaptanFL/FR
sweet
 vanilla oleoresin bourbonFL/FR
waxy
(E)-2-octen-1-yl butyrateFL/FR
 
For Flavor
 
No flavor group found for these
 acetaldehyde benzyl 2-methoxyethyl acetalFL/FR
9-acetyl-5-methyl-tricyclo[6.2.1.0.sup.2,7 ]undec-4-ene 
 allyl tiglateFL
 blackberry thiophenoneFL/FR
alpha-campholenic alcoholFL/FR
 ethyl 2-hydroxy-3-methyl valerateFL/FR
2-ethyl butyl 2-butenoate 
 ethyl butyryl lactateFL
1-ethyl-2-methyl propyl 3-butenoate 
 heliotropyl isobutyrateFL/FR
(S)-gamma-heptalactone 
3-hydroxy-4-phenyl-2-butanoneFL
4-hydroxyphenethyl alcoholFL
beta-ionone epoxideFL/FR
 menthyl acetate racemicFL/FR
(E)-2-octen-1-yl butyrateFL/FR
(E)-2-octen-4-olFL
 osmanthus flower absoluteFL/FR
1,3,4-trimethyl pentyl 2-butenoate 
1,2,2-trimethyl propyl 2-butenoate 
cheesy
2-nonanoneFL/FR
chemical
 methyl ethyl ketoneFL/FR
coffee
 methyl furfuryl disulfideFL/FR
ethereal
 ethyl acetateFL/FR
 methyl acetateFL/FR
isopropyl acetateFL/FR
fruity
isoamyl decanoateFL/FR
 amyl formateFL/FR
 amyl heptanoateFL/FR
 amyl hexanoateFL/FR
isoamyl hexanoateFL/FR
3-benzyl-4-heptanoneFL/FR
 butyl hexanoateFL/FR
isobutyl isobutyrateFL/FR
alpha-damasconeFL/FR
 ethyl 3-oxohexanoateFL
2-ethyl butyl acetateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
 furfuryl isovalerateFL
 methyl 2-methyl valerateFL/FR
 nerolin fragarolFL/FR
 propyl butyrateFL/FR
 propyl formateFL/FR
 styralyl butyrateFL/FR
 vanilla carboxylateFL/FR
green
2-ethyl butyraldehydeFL
(Z)-3-hexen-1-yl 2-methyl butyrateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
3-hexenyl 2-methyl butyrateFL/FR
 neryl propionateFL/FR
herbal
 marigold oil mexicoFL/FR
jammy
 maltyl isobutyrateFL/FR
minty
 thiogeraniolFL/FR
oily
3-nonen-2-oneFL/FR
powdery
beta-naphthyl ethyl etherFL/FR
pungent
 acetaldehydeFL
rummy
isobutyl formateFL/FR
 ethyl pyruvateFL/FR
soapy
 ambrettolideFL/FR
sulfurous
 buchu mercaptanFL/FR
sweet
 vanilla oleoresin bourbonFL/FR
vegetable
2-methyl valeraldehydeFL/FR
woody
 ambrette seed absoluteFL/FR
beta-iononeFL/FR
 
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Potential Uses:
 berryFR
 cheeseFL
 fruit tropical fruit 
 vegetable 
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Occurrence (nature, food, other): note
 cheese
Search  Picture
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Synonyms:
 acetic acid isopropenyl ester
 acetic acid, isopropenyl ester
1-acetoxy-1-methyl ethylene
1-acetoxy-1-methylethylene
2-acetoxypropene
2-acetoxypropylene
1-methyl vinyl acetate
1-methylethenyl acetate
1-methylvinyl acetate
 prop-1-en-2-yl acetate
isopropen-1-yl acetate
1-propen-2-ol acetate
1-propen-2-ol, acetate
1-propen-2-yl acetate
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