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prenyl acetate

Chemical Structure

General Material Information

Preferred name prenyl acetate
Trivial Name Prenyl acetate
Short Description 3-methylbut-2-enyl acetate
Formula C7 H12 O2
CAS Number 1191-16-8
FEMA Number 4202
Flavis Number 9.692
ECHA Number 214-730-4
FDA UNII I7KOV03HGS
Nikkaji Number J70.099A
Beilstein Number 1746265
MDL MFCD00036569
COE Number 11796
NMR Predictor External link
JECFA Food Flavoring 1827 prenyl acetate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 1191-16-8 ; PRENYL ACETATE
Synonyms
  • acetic acid 3-methyl-2-butenyl ester
  • acetic acid 3-methylbut-2-enyl ester
  • 2-buten-1-ol, 3-methyl-, acetate
  • 3,3-dimethyl allyl acetate
  • 3,3-dimethylallyl acetate
  • 3-methyl-2-buten-1-ol acetate
  • 3-methyl-2-buten-1-ol, acetate
  • 3-methyl-2-buten-1-yl acetate
  • 3-methyl-2-butenyl acetate
  • 3-methylbut-2-en-1-yl acetate
  • 3-methylbut-2-ene-1-ol acetate
  • 3-methylbut-2-enyl acetate
  • 3-methylbut-2-enyl ethanoate
  • iso pent-2-enyl acetate
  • prenylacetate
  • vertenol acetate (Grau)
  • vertenol-acetate (Grau)
  • 3-methylbut-2-enyl acetate
  • 2-Buten-1-ol, 3-methyl-, 1-acetate
  • 2-Buten-1-ol, 3-methyl-, acetate
  • 3-Methyl-2-buten-1-ol acetate
  • 3-Methyl-2-butenyl acetate
  • 1-Acetoxy-3-methyl-2-butene
  • 3,3-Dimethylallyl acetate
  • γ,γ-Dimethylallyl acetate
  • Dimethylallyl acetate
  • Isopent-2-enyl acetate
  • 3-Methyl-2-buten-1-yl acetate
  • 3-Methyl-1-acetoxy-2-butene
  • 2-Methyl-4-acetyloxy-2-butene

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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):HMDB29314
FooDB:FDB000373
Export Tariff Code:2915.39.9000
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 128.1710357666
Specific gravity @ 25 °C
Pounds per Gallon 7.605 to 7.672
Specific gravity @ 20 °C
Pounds per Gallon 7.623 to 7.689
Refractive Index 1.427 to 1.431 @ 20 °C
Boiling Point 151 to 152°C @ 752 mm Hg
Boiling Point 148 to 149°C @ 760 mm Hg
Vapor Pressure 3.987 mmHg @ 25 °C
Flash Point TCC Value 49.44 °C TCC
logP (o/w) 1.65
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, 1289 mg/L @ 25 °C (est) Yes
water No
Stability
alcoholic lotion Unspecified
antiperspirant Unspecified
deo stick Unspecified
fabric softener Unspecified
hard surface cleaner Unspecified
shampoo Unspecified
soap Unspecified

Organoleptic Properties

Odor Type: Fruity
sweet, fresh, banana, fruity, jasmin, ripe, heliotrope, balsamic
Odor strength medium , recommend smelling in a 1.00 % solution or less
Substantivity < 1 hour(s) at 100.00 %
Luebke, William tgsc, (2006) At 1.00 % in propylene glycol. sweet fresh banana fruity jasmin ripe heliotrope balsam
Flavor Type: Fruity
sweet, banana, fruity, ripe, floral, green
Luebke, William tgsc, (2006) At 30.00 ppm in water. sweet banana fruity ripe floral green
Can add freshness to fruit flavors, especially cherry, apple, and raspberry. Fresh, ethereal, sweet
Useful in: fruity yellow, fruity tropical, fruity others, alcoholics. Fruity, Sweet, Juicy, Pear, Estery
General comment Natural green apple, banana

Occurrences

Potential Uses

Applications
Odor purposes Apple green apple, Banana, Bergamot, Fruit, Green, Lavandin, Lavender, Melon, Pear
Cosmetic purposes Perfuming agents

Safety Information

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:
oral-rat LD50 2900 mg/kg
GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
National Technical Information Service. Vol. OTS0571762

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Chemical Toxicology. Vol. 20, Pg. 817, 1982.

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 prenyl acetate usage levels up to:
10.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 22.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 160.00 (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: 10.00000100.00000
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: 0.600006.00000
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): 5.0000025.00000
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
Chewing gum (05.3): --
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):

Flavouring Group Evaluation 202: 3-Alkylated aliphatic acyclic alpha,beta-unsaturated aldehydes and precursors with or without additional double bonds from chemical subgroup 1.1.3 of FGE.19[1]
View page or View pdf

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

Safety and efficacy of a,ß-unsaturated straight-chain and branched-chain aliphatic primary alcohols, aldehydes, acids and esters belonging to chemical group 3 when used as flavourings for all animal species
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):1191-16-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :14489
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1993
WGK Germany:2
3-methylbut-2-enyl acetate
Chemidplus:0001191168
RTECS:EM9473700 for cas# 1191-16-8