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isoamyl butyrate

Chemical Structure

General Material Information

Preferred name isoamyl butyrate
Trivial Name Isoamyl butyrate
Short Description 3-methylbutyl butyrate
Formula C9 H18 O2
CAS Number 106-27-4
FEMA Number 2060
ECHA Number 203-380-8
FDA UNII 505AFM77VU
Nikkaji Number J3.243C
Beilstein Number 1702557
MDL MFCD00044888
COE Number 282
xLogP3-AA 2.60 (est)
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 45 isoamyl butyrate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 106-27-4 ; ISOAMYL BUTYRATE
Synonyms
  • iso amyl butanoate
  • iso- amyl butyrate
  • nat.iso amyl butyrate
  • iso amyl butyrate (double isomer)
  • iso amyl butyrate (natural)
  • iso amyl butyrate (single isomer)
  • iso amyl butyrate 35i/65N
  • iso amyl butyrate 98% (singe isomer)
  • iso amyl butyrate FCC
  • iso amyl butyrate FCC (natural)
  • iso amyl butyrate nat.
  • iso amyl butyrate natural
  • iso amyl butyrate, natural
  • iso amyl N-butyrate
  • iso- amyl-butyrate FCC
  • iso amyl-N-butyrate
  • iso amylbutyrate
  • butanoic acid 3-methyl butyl ester
  • butanoic acid 3-methylbutyl ester
  • butanoic acid, 3-methylbutyl ester
  • butyric acid isoamyl ester
  • butyric acid isoamylester
  • butyric acid isopentyl ester
  • butyric acid, isopentyl ester
  • 3-methyl butanoate
  • 3-methyl butyl butanoate
  • 3-methyl butyl butyrate
  • 3-methylbutyl butanoate
  • 3-methylbutyl butyrate
  • iso pentyl alcohol butyrate
  • iso pentyl alcohol, butyrate
  • iso pentyl butanoate
  • iso pentyl butyrate
  • 3-methylbutyl butanoate
  • Isopentyl alcohol, butyrate
  • Isoamyl butanoate
  • Isopentyl butyrate
  • 3-Methylbutyl butyrate
  • Isoamyl butylate
  • Isopentyl butanoate
  • 3-Methylbutyl n-butyrate
  • Butyric acid 3-methylbutyl ester
  • NSC 6548
  • 3-Methyl-1-butyl butanoate

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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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
CHEBI:View
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB40221
FooDB:FDB019935
Export Tariff Code:2915.39.9000
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

Suppliers

Advanced Biotech Alfrebro
Astral Extracts Augustus Oils
Aurochemicals Axxence Aromatic
Azelis UK Beijing Lys Chemicals
Bell Flavors & Fragrances Berjé
BOC Sciences Charkit Chemical
Citrus and Allied Essences Diffusions Aromatiques
Elan Inc. EMD Millipore
Ernesto Ventós Excellentia International
Fleurchem fnfsurplus.com
Frutarom Global Essence
Grau Aromatics H. Interdonati, Inc.
IFF Indenta Group
Indukern F&F Inoue Perfumery
Jiangyin Healthway K.L. Koh Enterprise
Keva Lluch Essence
M&U International Mane
Moellhausen Nagar Haveli Perfumes & Aromatics
Natural Advantage Naturamole
Organica Aromatics Pearlchem Corporation
Penta International PerfumersWorld
Prodasynth R C Treatt & Co Ltd
Reincke & Fichtner Robertet
Sigma-Aldrich SRS Aromatics
Sunaux International Symrise
Synerzine Taytonn ASCC
TCI AMERICA The Good Scents Company
U. K. Aromatics and Chemicals Ungerer & Company
United International Vigon International
WEN International WholeChem
Advanced Biotech. Inc. Alfrebro LLC/ Archer Daniels Midland Company
Augustus Oils Ltd Axxence Aromatic GmbH
Azelis UK Ltd. Beijing Lys Chemicals Co, LTD.
Berje Inc. Charkit Chemical Corporation
Fleurchem, Inc. Global Essence Inc.
FRUTAROM USA INC, Indukern, S.A. F&F Ingredients Division
Jiangyin Healthway International Trade Co., Ltd Lluch Essence S.L.
M&U International LLC Moellhausen S.P.A.
Penta International Corporation PerfumersWorld Ltd.
Robertet, Inc. SRS Aromatics Ltd
Symrise AG Synerzine, Inc.
Taytonn ASCC Pte Ltd R C Treatt and Co Ltd
Qingdao Free Trade Zone United International Co Ltd Ernesto Ventós S.A.
WholeChem, LLC

PhysChem Properties

Material listed in food chemical codex Yes
Molecular weight 158.24085998535
Specific gravity @ 25 °C
Pounds per Gallon 7.156 to 7.223
Specific gravity @ 20 °C
Pounds per Gallon 7.173 to 7.239
Refractive Index 1.409 to 1.413 @ 20 °C
Acid Value 0.1 max KOH/g
Vapor Pressure 0.95 mmHg @ 20 °C
Vapor Density 5.5
Flash Point TCC Value 57.22 °C TCC
logP (o/w) 3.25
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, 118 mg/L @ 25 °C (exp) Yes
water No
glycerin No
propylene glycol 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
fruity, green, apricot, pear, banana, sweet, estery, tropical, apple, melon, tutti frutti
Odor strength medium
Substantivity < 2 hour(s) at 100.00 %
Luebke, William tgsc, (1983) At 100.00 %. fruity green apricot pear banana
Mosciano, Gerard P&F 24, No. 2, 49, (1999) At 2.00 %. Fruity, sweet estry, green, tropical, apple and melon-like with tutti frutti notes
Flavor Type: Waxy
waxy, green, apple, fruity, sweet, estery, melon, berry
Mosciano, Gerard P&F 24, No. 2, 49, (1999) At 5.00 ppm. Waxy, green apple, fruity, sweet estry, melon and berry notes
Useful in: dairy, fruity red, fruity yellow, fruity tropical, fruity others. Estery, fruity, sweet
General comment Fruity banana sweet fatty green

Occurrences

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
Flammable liquids (Category 3), H226
Skin irritation (Category 2), H315
Eye irritation (Category 2A), H319
Specific target organ toxicity - single exposure (Category 3), Respiratory system, H335
GHS Label elements, including precautionary statements
Pictogramflame.jpgexclamation-mark.jpg
Signal word Warning
Hazard statement(s)
H226 - Flammable liquid and vapour
H315 - Causes skin irritation
H319 - Causes serious eye irritation
H335 - May cause respiratory irritation
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.
P264 - Wash skin thouroughly after handling.
P271 - Use only outdoors or in a well-ventilated area.
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.
P305 + P351 + P338 - IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P312 - Call a POISON CENTER or doctor/physician if you feel unwell.
P332 + P313 - IF SKIN irritation occurs: Get medical advice/attention.
P337 + P313 - IF eye irritation persists: Get medical advice/attention.
P362 - Take off contaminated clothing and wash before reuse.
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:
3 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
oral-rat LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 17, Pg. 823, 1979.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 17, Pg. 823, 1979.

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 isoamyl butyrate usage levels up to:
8.0000 % 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 ppmaverage maximum ppm
baked goods: -51.00000
beverages(nonalcoholic): -13.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: -570.00000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -34.00000
fruit ices: -34.00000
gelatins / puddings: -60.00000
granulated sugar: --
gravies: --
hard candy: -79.00000
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: --

Safety references

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
Chemical Carcinogenesis Research Information System:Search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):106-27-4
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7795
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 2620
WGK Germany:1
3-methylbutyl butanoate
Chemidplus:0000106274
RTECS:ET5034000 for cas# 106-27-4