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

isopropenyl acetate
prop-1-en-2-yl acetate

Sponsors

Name:prop-1-en-2-yl acetate
CAS Number: 108-22-5Picture of molecule3D/inchi
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:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: ISOPROPENYL ACETATE
 
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
 
Organoleptic Properties:
Odor Type: fruity
Odor Strength:medium ,
recommend smelling in a 10.00 % solution or less
Substantivity: < 1 hour(s) at 100.00 %
ethereal acetic fruity sweet berry grape skin
Odor Description:at 100.00 %. ethereal acetic fruity sweet berry grape skin
Luebke, William tgsc, (2006)
Odor sample from: Sigma-Aldrich
Flavor Type: ethereal
ethereal grape skin sauerkraut green
Taste Description: at 25.00 ppm in water. ethereal lactate grape skin sauerkraut green
Luebke, William tgsc, (2006)
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
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)
 
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
 
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
 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
 
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
 
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
 
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
 
Potential Blenders and core components note
For Odor
alliaceous
methyl furfuryl disulfide
FL/FR
amber
ambrette seed absolute
FL/FR
balsamic
phenyl salicylate
FR
camphoreous
alpha-
campholenic alcohol
FL/FR
caramellic
maltyl isobutyrate
FL/FR
chemical
iso
butyl formate
FL/FR
ethereal
ethyl acetate
FL/FR
ethyl pyruvate
FL/FR
methyl acetate
FL/FR
methyl ethyl ketone
FL/FR
2-
methyl valeraldehyde
FL/FR
iso
propyl acetate
FL/FR
propyl formate
FL/FR
floral
alpha-
damascone
FL/FR
beta-
ionone
FL/FR
nerolin fragarol
FL/FR
rose carboxylate
FR
rose undecene
FR
tea acetate
FR
tuberose acetate
FR
fruity
amyl formate
FL/FR
amyl heptanoate
FL/FR
amyl hexanoate
FL/FR
iso
amyl hexanoate
FL/FR
3-
benzyl-4-heptanone
FL/FR
butyl hexanoate
FL/FR
iso
butyl isobutyrate
FL/FR
cyclohexyl crotonate
FR
ethyl 2-hydroxy-3-methyl valerate
FL/FR
2-
ethyl butyl acetate
FL/FR
ethyl methyl-para-tolyl glycidate
FL/FR
heliotropyl isobutyrate
FL/FR
beta-
ionone epoxide
FL/FR
methyl 2-methyl valerate
FL/FR
neryl propionate
FL/FR
2-
nonanone
FL/FR
3-
nonen-2-one
FL/FR
iso
octyl acetate
FR
osmanthus flower absolute
FL/FR
propyl butyrate
FL/FR
styralyl butyrate
FL/FR
tropical indene
FR
vanilla carboxylate
FL/FR
green
acetaldehyde benzyl 2-methoxyethyl acetal
FL/FR
green carboxylate
FR
(Z)-3-
hexen-1-yl 2-methyl butyrate
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
3-
hexenyl 2-methyl butyrate
FL/FR
hexoxyacetaldehyde dimethyl acetal
FR
thiogeraniol
FL/FR
herbal
marigold oil mexico
FL/FR
mentholic
menthyl acetate racemic
FL/FR
musk
musk decanolide
FR
naphthyl
beta-
naphthyl ethyl ether
FL/FR
soapy
ambrettolide
FL/FR
sulfurous
blackberry thiophenone
FL/FR
buchu mercaptan
FL/FR
sweet
vanilla oleoresin bourbon
FL/FR
waxy
iso
amyl decanoate
FL/FR
(E)-2-
octen-1-yl butyrate
FL/FR
For Flavor
No flavor group found for these
acetaldehyde benzyl 2-methoxyethyl acetal
FL/FR
allyl tiglate
FL
blackberry thiophenone
FL/FR
alpha-
campholenic alcohol
FL/FR
ethyl 2-hydroxy-3-methyl valerate
FL/FR
ethyl butyryl lactate
FL
3-
hydroxy-4-phenyl-2-butanone
FL
4-
hydroxyphenethyl alcohol
FL
beta-
ionone epoxide
FL/FR
menthyl acetate racemic
FL/FR
(E)-2-
octen-1-yl butyrate
FL/FR
(E)-2-
octen-4-ol
FL
osmanthus flower absolute
FL/FR
cheesy
cheesy
2-
nonanone
FL/FR
chemical
methyl ethyl ketone
FL/FR
coffee
methyl furfuryl disulfide
FL/FR
ethereal
ethyl acetate
FL/FR
methyl acetate
FL/FR
iso
propyl acetate
FL/FR
fruity
amyl formate
FL/FR
amyl heptanoate
FL/FR
amyl hexanoate
FL/FR
iso
amyl hexanoate
FL/FR
3-
benzyl-4-heptanone
FL/FR
butyl hexanoate
FL/FR
iso
butyl isobutyrate
FL/FR
alpha-
damascone
FL/FR
ethyl 3-oxohexanoate
FL
2-
ethyl butyl acetate
FL/FR
ethyl methyl-para-tolyl glycidate
FL/FR
furfuryl isovalerate
FL
heliotropyl isobutyrate
FL/FR
methyl 2-methyl valerate
FL/FR
nerolin fragarol
FL/FR
propyl butyrate
FL/FR
propyl formate
FL/FR
styralyl butyrate
FL/FR
vanilla carboxylate
FL/FR
green
2-
ethyl butyraldehyde
FL
(Z)-3-
hexen-1-yl 2-methyl butyrate
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
3-
hexenyl 2-methyl butyrate
FL/FR
neryl propionate
FL/FR
herbal
marigold oil mexico
FL/FR
jammy
maltyl isobutyrate
FL/FR
minty
thiogeraniol
FL/FR
oily
3-
nonen-2-one
FL/FR
powdery
beta-
naphthyl ethyl ether
FL/FR
pungent
acetaldehyde
FL
rummy
iso
butyl formate
FL/FR
ethyl pyruvate
FL/FR
soapy
ambrettolide
FL/FR
sulfurous
buchu mercaptan
FL/FR
sweet
vanilla oleoresin bourbon
FL/FR
vegetable
2-
methyl valeraldehyde
FL/FR
waxy
iso
amyl decanoate
FL/FR
woody
ambrette seed absolute
FL/FR
beta-
ionone
FL/FR
 
Potential Uses:
FRberry
FLcheese
 fruit tropical fruit
FLvegetable
 
Occurrence (nature, food, other):note
 cheese
Search PMC Picture
 
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
 
 
Notes:
Used as a food additive [EAFUS]
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