Preferred name | isoamyl acetate |
Trivial Name | Isoamyl acetate |
Short Description | isopentyl acetate |
Formula | C7 H14 O2 |
CAS Number | 123-92-2 |
Deleted CAS Number | 29732-50-1 |
FEMA Number | 2055 |
Flavis Number | 9.024 |
ECHA Number | 204-662-3 |
FDA UNII | Z135787824 |
Nikkaji Number | J2.012E |
Beilstein Number | 1744750 |
MDL | MFCD00008946 |
COE Number | 214 |
Bio Activity Summary | External link |
NMR Predictor | External link |
JECFA Food Flavoring | 43 isoamyl acetate |
FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
FDA Mainterm | 123-92-2 ; ISOAMYL ACETATE |
Synonyms |
|
Google Scholar | Start search |
Google Books | Start search |
Google Patents | Start search |
Perfumer & Flavorists | Start search |
EU Patents | Start search |
PubMeb | Start search |
NCBI | Start search |
3-methylbutyl acetate | |
NIST Chemistry WebBook: | Search Inchi |
Canada Domestic Sub. List: | 123-92-2 |
Pubchem (cid): | 31276 |
Pubchem (sid): | 134974750 |
Flavornet: | 123-92-2 |
Pherobase: | View |
(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 |
CHEBI: | View |
CHEMBL: | View |
KEGG (GenomeNet): | C12296 |
HMDB (The Human Metabolome Database): | HMDB31528 |
FooDB: | FDB008132 |
YMDB (Yeast Metabolome Database): | YMDB00571 |
Export Tariff Code: | 2915.39.4550 |
FDA Listing of Food Additive Status: | View |
Typical G.C. | |
VCF-Online: | VCF Volatile Compounds in Food |
ChemSpider: | View |
Wikipedia: | View |
FAO: | Isoamyl acetate |
Formulations/Preparations: •lemon and bergamot essential oils were blended into an imitation pear flavor consisting of more than 90% by weight of amyl acetate; vanillin, rose absolute, and sometimes a trace of raspberry aroma were also added to better balance the resulting formulation. a few esters--geranyl propionate, amyl valerate, ethyl acetate, and ethyl butyrate--were added to amyl acetate formulations for special flavoring effects. some formulations also call for the use of aldehyde c14 (gamma-undecalactone). commercial grade •grades: reagent; technical •grades: commercial (85-88%). high test (85-88%), technical (90-95%), pure (95-99%); special antibiotic grade. amyl acetate is also sold by original source, as from fusel oil, pentane, or oxo process. commercial grade |
Material listed in food chemical codex | Yes |
Molecular weight | 130.18698120117 |
Specific gravity | @ 25 °C |
Pounds per Gallon | 7.156 to 7.306 |
Refractive Index | 1.4 to 1.404 @ 20 °C |
Boiling Point | 142 to 143°C @ 756 mm Hg |
Acid Value | 1 max KOH/g |
Vapor Pressure | 5.6 mmHg @ 25 °C |
Vapor Density | 4.4 |
Flash Point TCC Value | 25 °C TCC |
logP (o/w) | 2.26 |
Shelf life | 24 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 |
fixed oils | Yes |
kerosene | Yes |
paraffin oil | Yes |
water, 2000 mg/L @ 25 °C (exp) | Yes |
water | No |
glycerin | No |
propylene glycol | No |
Odor Type: Fruity | |
sweet, fruity, banana, solvent, ripe, estery | |
Odor strength | high , recommend smelling in a 1.00 % solution or less |
Substantivity | < 4 hour(s) at 100.00 % |
Luebke, William tgsc, (1983) | At 10.00 % in dipropylene glycol. sweet fruity banana solvent |
General comment | At 10.00 % in dipropylene glycol. |
Mosciano, Gerard P&F 16, No. 6, 43, (1991) | Sweet, banana, fruity with a ripe estry nuance |
Flavor Type: Fruity | |
sweet, fruity, banana, green, ripe | |
Mosciano, Gerard P&F 16, No. 6, 43, (1991) | At 30.00 ppm in propylene glycol. Sweet fruity, banana-Iike with a green ripe nuance |
Useful in: fruity red, fruity yellow, fruity tropical, fruity others, sweet others, alcoholics. | Sweet, fruity, estery, banana- and pear-like |
(data available) |
Applications | |
Odor purposes | Almond , Apple , Apple red apple , Apricot , Banana , Blackberry , Blueberry , Bubble gum , Butterscotch , Carnation , Cherry , Coconut , Coffee , Crabapple blossom , Cranberry , Currant , Date , Floral , Fruit juicy fruit , Gooseberry , Grape , Hibiscus , Honey , Hop , Huckleberry , Hyacinth , Lemon , Lily of the valley , Lime , Melon , Mint , Mulberry , Orange , Oriental , Passion fruit , Peach , Pear , Pina colada , Pineapple , Plum , Quince , Raspberry , Rose , Strawberry , Tangerine , Valerian , Vanilla , Violet |
Flavoring purposes | Brandy , Chocolate cocoa , Grenadine , Pistachio , Valerian |
Cosmetic purposes | Fragrance , Perfuming agents , Solvents |
Preferred SDS: View | |
European information : | |
Most important hazard(s): | |
Xi - Irritant | |
R 10 - Flammable. R 66 - Repeated exposure may cause skin dryness or cracking. S 02 - Keep out of the reach of children. 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 36 - Wear suitable protective clothing. | |
Hazards identification | |
Classification of the substance or mixture | |
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
Flammable liquids (Category 3), H226 Specific target organ toxicity - single exposure (Category 3), Respiratory system, H335 Acute aquatic toxicity (Category 3), H402 | |
GHS Label elements, including precautionary statements | |
Pictogram | ![]() ![]() |
Signal word | Warning |
Hazard statement(s) | |
H226 - Flammable liquid and vapour H335 - May cause respiratory irritation H402 - Harmful to aquatic life | |
Precautionary statement(s) | |
P210 - Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233 - Keep container tightly closed. P240 - Ground/bond container and receiving equipment. P241 - Use explosion-proof electrical/ventilating/lighting/…/equipment. P242 - Use only non-sparking tools. P243 - Take precautionary measures against static discharge. P261 - Avoid breathing dust/fume/gas/mist/vapours/spray. P271 - Use only outdoors or in a well-ventilated area. P273 - Avoid release to the environment. P280 - Wear protective gloves/protective clothing/eye protection/face protection. P303 + P361 + P353 - IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P304 + P340 - IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P312 - Call a POISON CENTER or doctor/physician if you feel unwell. P370 + P378 - In case of fire: Use dry sand, dry chemical or alcohol-resistant foam for extinction. P403 + P233 - Store in a well-ventilated place. Keep container tightly closed. P403 + P235 - Store in a well-ventilated place. Keep cool. P405 - Store locked up. P501 - Dispose of contents/ container to an approved waste disposal plant. | |
Human Experience: | |
8 % solution: no irritation or sensitization | |
Oral/Parenteral Toxicity: | |
oral-rat LD50 16600 mg/kg Yakkyoku. Pharmacy. Vol. 32, Pg. 1241, 1981. oral-rabbit LD50 7422 mg/kg Industrial Medicine and Surgery. Vol. 41, Pg. 31, 1972. | |
Dermal Toxicity: | |
skin-rabbit LD50 > 5000 mg/kg National Technical Information Service. Vol. OTS0573010 subcutaneous-guinea pig LDLo 5000 mg/kg BEHAVIORAL: GENERAL ANESTHETIC PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 5, Pg. 1, 1933. | |
Inhalation Toxicity: | |
inhalation-cat LCLo 35000 mg/m3 KIDNEY, URETER, AND BLADDER: PROTEINURIS BEHAVIORAL: FOOD INTAKE (ANIMAL) BEHAVIORAL: GENERAL ANESTHETIC Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 5, Pg. 1, 1933. |
Category: | |||
carrier solvents, flavoring agents | |||
RIFM Fragrance Material Safety Assessment: Search | |||
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
Recommendation for isoamyl acetate usage levels up to: | |||
25.0000 % in the fragrance concentrate. | |||
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 | |||
Click here to view publication 3 | |||
average usual ppm | average maximum ppm | ||
baked goods: | - | 120.00000 | |
beverages(nonalcoholic): | - | 28.00000 | |
beverages(alcoholic): | - | - | |
breakfast cereal: | - | - | |
cheese: | - | - | |
chewing gum: | - | 2700.00000 | |
condiments / relishes: | - | - | |
confectionery froastings: | - | - | |
egg products: | - | - | |
fats / oils: | - | - | |
fish products: | - | - | |
frozen dairy: | - | 56.00000 | |
fruit ices: | - | 56.00000 | |
gelatins / puddings: | - | 100.00000 | |
granulated sugar: | - | - | |
gravies: | - | - | |
hard candy: | - | 190.00000 | |
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: | - | - |
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 5: Esters of 23 branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and 24 branched- and straight-chain unsaturated carboxylic acids from chemical groups 1, 2, and 5 View page or View pdf |
Flavouring Group Evaluation 5, Revision 1 (FGE.05Rev1):Esters of branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and branched- and straight-chain unsaturated carboxylic acids from chemical groups 1, 2, and 5 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) [1] - 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 5, Revision 2 (FGE.05Rev2): Branched- and straight-chain unsaturated carboxylic acids and esters of these with aliphatic saturated alcohols from chemical groups 1, 2, 3 and 5 View page or View pdf |
Safety of 31 flavouring compounds belonging to different chemical groups when used as feed additives for all animal species View page or View pdf |
EPI System: View |
NIOSH International Chemical Safety Cards:search |
NIOSH Pocket Guide:search |
Chemical Carcinogenesis Research Information System:Search |
AIDS Citations:Search |
Cancer Citations:Search |
Toxicology Citations:Search |
EPA Substance Registry Services (TSCA):123-92-2 |
EPA ACToR:Toxicology Data |
EPA Substance Registry Services (SRS):Registry |
Laboratory Chemical Safety Summary :31276 |
National Institute of Allergy and Infectious Diseases:Data |
WISER:UN 1104 |
WGK Germany:1 |
3-methylbutyl acetate |
Chemidplus:0000123922 |
EPA/NOAA CAMEO:hazardous materials |
RTECS:123-92-2 |